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

14
Patents

203.13101 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.138286 146.1
[M+Na]+ 226.120228 151.4
[M-H]- 202.123734 152.2
[M+NH4]+ 221.164833 168.1
[M+K]+ 242.094168 148.3
[M+H-H2O]+ 186.128270 139.6
[M+HCOO]- 248.129211 170.3
[M+CH3COO]- 262.144861 185.2
[M+Na-2H]- 224.105676 151.7
[M]+ 203.13046142 143.0
[M]- 203.13155858 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