CID 330435

98067-17-5

Structural Information

Molecular Formula
C17H24N2O2
SMILES
COC1=C(C=C(C=C1)CCNC2(CCCCC2)C#N)OC
InChI
InChI=1S/C17H24N2O2/c1-20-15-7-6-14(12-16(15)21-2)8-11-19-17(13-18)9-4-3-5-10-17/h6-7,12,19H,3-5,8-11H2,1-2H3
InChIKey
WCWQZLUHHJUUJM-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dimethoxyphenyl)ethylamino]cyclohexane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

288.18378 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.19106 168.2
[M+Na]+ 311.17300 175.4
[M-H]- 287.17650 173.0
[M+NH4]+ 306.21760 183.6
[M+K]+ 327.14694 170.1
[M+H-H2O]+ 271.18104 154.6
[M+HCOO]- 333.18198 185.4
[M+CH3COO]- 347.19763 213.9
[M+Na-2H]- 309.15845 171.6
[M]+ 288.18323 162.3
[M]- 288.18433 162.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.