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]+ 190.15903 143.5
[M+Na]+ 212.14097 149.4
[M-H]- 188.14447 149.9
[M+NH4]+ 207.18557 164.8
[M+K]+ 228.11491 146.3
[M+H-H2O]+ 172.14901 137.0
[M+HCOO]- 234.14995 167.2
[M+CH3COO]- 248.16560 186.7
[M+Na-2H]- 210.12642 146.6
[M]+ 189.15120 140.2
[M]- 189.15230 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