CID 84629

Einecs 228-474-6

Structural Information

Molecular Formula

SMILES

C(CN)CCl

InChI

InChI=1S/C3H8ClN/c4-2-1-3-5/h1-3,5H2

InChIKey

BZFKSWOGZQMOMO-UHFFFAOYSA-N

Compound name

3-chloropropan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1754
Patents: 93.03453 Da
Monoisotopic Mass: 0.2
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]+	94.041806	115.6
[M+Na]+	116.02375	123.9
[M-H]-	92.027254	115.5
[M+NH4]+	111.06835	139.5
[M+K]+	131.99769	121.9
[M+H-H2O]+	76.031790	112.4
[M+HCOO]-	138.03273	136.1
[M+CH3COO]-	152.04838	166.1
[M+Na-2H]-	114.00920	123.0
[M]+	93.033981	115.5
[M]-	93.035079	115.5

Literature stripe

literature stripe

Patent stripe

patents stripe