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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	204.13829	148.4
[M+Na]+	226.12023	159.1
[M+NH4]+	221.16483	158.9
[M+K]+	242.09417	151.3
[M-H]-	202.12373	152.6
[M+Na-2H]-	224.10568	157.2
[M]+	203.13046	151.1
[M]-	203.13156	151.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe