CID 43345645

[1-(3-methylphenyl)cyclopentyl]methanamine

Structural Information

Molecular Formula
C13H19N
SMILES
CC1=CC(=CC=C1)C2(CCCC2)CN
InChI
InChI=1S/C13H19N/c1-11-5-4-6-12(9-11)13(10-14)7-2-3-8-13/h4-6,9H,2-3,7-8,10,14H2,1H3
InChIKey
CKMVKHSUXDMASI-UHFFFAOYSA-N
Compound name
[1-(3-methylphenyl)cyclopentyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.15175 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 143.9
[M+Na]+ 212.14097 150.0
[M-H]- 188.14447 149.9
[M+NH4]+ 207.18557 166.7
[M+K]+ 228.11491 146.6
[M+H-H2O]+ 172.14901 137.9
[M+HCOO]- 234.14995 167.0
[M+CH3COO]- 248.16560 184.5
[M+Na-2H]- 210.12642 147.8
[M]+ 189.15120 139.5
[M]- 189.15230 139.5
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.