CID 6447018

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

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]+ 304.19072 172.9
[M+Na]+ 326.17266 183.2
[M+NH4]+ 321.21726 182.3
[M+K]+ 342.14660 177.4
[M-H]- 302.17616 179.4
[M+Na-2H]- 324.15811 177.3
[M]+ 303.18289 176.2
[M]- 303.18399 176.2
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.