CID 30380

N-(1-benzylcyclopentyl)formamide

Structural Information

Molecular Formula
C13H17NO
SMILES
C1CCC(C1)(CC2=CC=CC=C2)NC=O
InChI
InChI=1S/C13H17NO/c15-11-14-13(8-4-5-9-13)10-12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,14,15)
InChIKey
HPHAVTMDTFROSG-UHFFFAOYSA-N
Compound name
N-(1-benzylcyclopentyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

203.13101 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 146.1
[M+Na]+ 226.12023 151.4
[M-H]- 202.12373 152.2
[M+NH4]+ 221.16483 168.1
[M+K]+ 242.09417 148.3
[M+H-H2O]+ 186.12827 139.6
[M+HCOO]- 248.12921 170.3
[M+CH3COO]- 262.14486 185.2
[M+Na-2H]- 224.10568 151.7
[M]+ 203.13046 143.0
[M]- 203.13156 143.0
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