CID 19703421

857353-42-5

Structural Information

Molecular Formula

C₇H₁₃N

SMILES

C1CC(C=C1)CCN

InChI

InChI=1S/C7H13N/c8-6-5-7-3-1-2-4-7/h1,3,7H,2,4-6,8H2

InChIKey

MBTOTUHFSJWIIZ-UHFFFAOYSA-N

Compound name

2-cyclopent-2-en-1-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 111.1048 Da
Monoisotopic Mass: 1.1
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]+	112.112076	123.4
[M+Na]+	134.094018	129.7
[M-H]-	110.097524	126.2
[M+NH4]+	129.138623	147.3
[M+K]+	150.067958	128.4
[M+H-H2O]+	94.102060	118.1
[M+HCOO]-	156.103001	148.2
[M+CH3COO]-	170.118651	169.9
[M+Na-2H]-	132.079466	128.7
[M]+	111.10425142	120.0
[M]-	111.10534858	120.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe