CID 210093

1-benzyl-n-methylcyclopentan-1-amine

Structural Information

Molecular Formula
C13H19N
SMILES
CNC1(CCCC1)CC2=CC=CC=C2
InChI
InChI=1S/C13H19N/c1-14-13(9-5-6-10-13)11-12-7-3-2-4-8-12/h2-4,7-8,14H,5-6,9-11H2,1H3
InChIKey
ZFAGGXZFXYOEDA-UHFFFAOYSA-N
Compound name
1-benzyl-N-methylcyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
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 143.8
[M+Na]+ 212.140968 148.9
[M-H]- 188.144474 149.9
[M+NH4]+ 207.185573 166.5
[M+K]+ 228.114908 145.9
[M+H-H2O]+ 172.149010 137.4
[M+HCOO]- 234.149951 167.6
[M+CH3COO]- 248.165601 184.1
[M+Na-2H]- 210.126416 149.3
[M]+ 189.15120142 140.0
[M]- 189.15229858 140.0
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