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]+ 289.191056 168.2
[M+Na]+ 311.172998 175.4
[M-H]- 287.176504 173.0
[M+NH4]+ 306.217603 183.6
[M+K]+ 327.146938 170.1
[M+H-H2O]+ 271.181040 154.6
[M+HCOO]- 333.181981 185.4
[M+CH3COO]- 347.197631 213.9
[M+Na-2H]- 309.158446 171.6
[M]+ 288.18323142 162.3
[M]- 288.18432858 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.