CID 54591

80649-70-3

Structural Information

Molecular Formula

C₁₄H₁₉NO

SMILES

CC1(CCCC1CC2=CC=CC=C2)NC=O

InChI

InChI=1S/C14H19NO/c1-14(15-11-16)9-5-8-13(14)10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,15,16)

InChIKey

NPBFOOPSVSEQLG-UHFFFAOYSA-N

Compound name

N-(2-benzyl-1-methylcyclopentyl)formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 217.14667 Da
Monoisotopic Mass: 2.9
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]+	218.15395	150.1
[M+Na]+	240.13589	155.9
[M-H]-	216.13939	156.4
[M+NH4]+	235.18049	171.8
[M+K]+	256.10983	152.5
[M+H-H2O]+	200.14393	143.7
[M+HCOO]-	262.14487	173.9
[M+CH3COO]-	276.16052	189.3
[M+Na-2H]-	238.12134	154.5
[M]+	217.14612	147.7
[M]-	217.14722	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe