CID 54595742

N-methyl-2-(4-methylphenyl)cyclopentan-1-amine

Structural Information

Molecular Formula
C13H19N
SMILES
CC1=CC=C(C=C1)C2CCCC2NC
InChI
InChI=1S/C13H19N/c1-10-6-8-11(9-7-10)12-4-3-5-13(12)14-2/h6-9,12-14H,3-5H2,1-2H3
InChIKey
GZYLTDDKXDHLRT-UHFFFAOYSA-N
Compound name
N-methyl-2-(4-methylphenyl)cyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

189.15175 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 143.5
[M+Na]+ 212.140968 149.4
[M-H]- 188.144474 149.9
[M+NH4]+ 207.185573 164.8
[M+K]+ 228.114908 146.3
[M+H-H2O]+ 172.149010 137.0
[M+HCOO]- 234.149951 167.2
[M+CH3COO]- 248.165601 186.7
[M+Na-2H]- 210.126416 146.6
[M]+ 189.15120142 140.2
[M]- 189.15229858 140.2
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

patents stripe