CID 16710

2238-81-5

Structural Information

Molecular Formula
C16H25NO2
SMILES
CC(=C)CC(CCN(C)C)(C1=CC=C(C=C1)OC)O
InChI
InChI=1S/C16H25NO2/c1-13(2)12-16(18,10-11-17(3)4)14-6-8-15(19-5)9-7-14/h6-9,18H,1,10-12H2,2-5H3
InChIKey
CMBQHBKTZXQZTQ-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-3-(4-methoxyphenyl)-5-methylhex-5-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.195816 165.1
[M+Na]+ 286.177758 169.7
[M-H]- 262.181264 168.1
[M+NH4]+ 281.222363 181.6
[M+K]+ 302.151698 168.0
[M+H-H2O]+ 246.185800 158.6
[M+HCOO]- 308.186741 185.4
[M+CH3COO]- 322.202391 203.7
[M+Na-2H]- 284.163206 167.5
[M]+ 263.18799142 167.6
[M]- 263.18908858 167.6
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.