CID 23365036

(cyclopent-3-en-1-yl)methanamine

Structural Information

Molecular Formula

C₆H₁₁N

SMILES

C1C=CCC1CN

InChI

InChI=1S/C6H11N/c7-5-6-3-1-2-4-6/h1-2,6H,3-5,7H2

InChIKey

MKLFRAVVYRKTRH-UHFFFAOYSA-N

Compound name

cyclopent-3-en-1-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 97.08915 Da
Monoisotopic Mass: 0.7
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	118.8
[M+Na]+	120.07837	125.4
[M-H]-	96.081874	121.8
[M+NH4]+	115.12297	143.3
[M+K]+	136.05231	124.4
[M+H-H2O]+	80.086410	113.6
[M+HCOO]-	142.08735	143.9
[M+CH3COO]-	156.10300	166.9
[M+Na-2H]-	118.06382	124.6
[M]+	97.088601	115.0
[M]-	97.089699	115.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe