CID 61830027

1-(aminomethyl)-n-(3,4-dimethylphenyl)cyclopentane-1-carboxamide

Structural Information

Molecular Formula
C15H22N2O
SMILES
CC1=C(C=C(C=C1)NC(=O)C2(CCCC2)CN)C
InChI
InChI=1S/C15H22N2O/c1-11-5-6-13(9-12(11)2)17-14(18)15(10-16)7-3-4-8-15/h5-6,9H,3-4,7-8,10,16H2,1-2H3,(H,17,18)
InChIKey
XLYRKCLFVNYICA-UHFFFAOYSA-N
Compound name
1-(aminomethyl)-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.17322 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18050 158.6
[M+Na]+ 269.16244 163.8
[M-H]- 245.16594 164.7
[M+NH4]+ 264.20704 178.9
[M+K]+ 285.13638 160.5
[M+H-H2O]+ 229.17048 152.2
[M+HCOO]- 291.17142 181.5
[M+CH3COO]- 305.18707 198.1
[M+Na-2H]- 267.14789 160.1
[M]+ 246.17267 154.7
[M]- 246.17377 154.7
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.