CID 21306607

1333221-05-8

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

CNC1CC=CC1

InChI

InChI=1S/C6H11N/c1-7-6-4-2-3-5-6/h2-3,6-7H,4-5H2,1H3

InChIKey

VFSJDHDSAIQLMF-UHFFFAOYSA-N

Compound name

N-methylcyclopent-3-en-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 311
Patents: 97.08915 Da
Monoisotopic Mass: 1.0
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]+	98.096426	118.4
[M+Na]+	120.07837	125.0
[M-H]-	96.081874	121.9
[M+NH4]+	115.12297	143.1
[M+K]+	136.05231	124.4
[M+H-H2O]+	80.086410	113.2
[M+HCOO]-	142.08735	144.2
[M+CH3COO]-	156.10300	167.6
[M+Na-2H]-	118.06382	125.3
[M]+	97.088601	115.6
[M]-	97.089699	115.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe