CID 6447018

Cyclohexanol, 6-(1,3-benzodioxol-5-ylmethylene)-2-((dimethylamino)methyl)-2-methyl-

Structural Information

Molecular Formula
C18H25NO3
SMILES
CC1(CCC/C(=C/C2=CC3=C(C=C2)OCO3)/C1O)CN(C)C
InChI
InChI=1S/C18H25NO3/c1-18(11-19(2)3)8-4-5-14(17(18)20)9-13-6-7-15-16(10-13)22-12-21-15/h6-7,9-10,17,20H,4-5,8,11-12H2,1-3H3/b14-9-
InChIKey
OYPMLGBWGFRXAS-ZROIWOOFSA-N
Compound name
(6Z)-6-(1,3-benzodioxol-5-ylmethylidene)-2-[(dimethylamino)methyl]-2-methylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.18344 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.190716 173.3
[M+Na]+ 326.172658 178.4
[M-H]- 302.176164 181.3
[M+NH4]+ 321.217263 190.1
[M+K]+ 342.146598 177.4
[M+H-H2O]+ 286.180700 166.9
[M+HCOO]- 348.181641 189.9
[M+CH3COO]- 362.197291 206.8
[M+Na-2H]- 324.158106 175.6
[M]+ 303.18289142 172.5
[M]- 303.18398858 172.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.