CID 7852

Propylamine

Structural Information

Molecular Formula

SMILES

CCCN

InChI

InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3

InChIKey

WGYKZJWCGVVSQN-UHFFFAOYSA-N

Compound name

propan-1-amine

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 648
References: 50409
Patents: 59.073498 Da
Monoisotopic Mass: 0.5
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]+	60.080774	108.3
[M+Na]+	82.062716	118.9
[M+NH4]+	77.107321	117.5
[M+K]+	98.036656	113.3
[M-H]-	58.066222	109.2
[M+Na-2H]-	80.048164	113.6
[M]+	59.072949	109.8
[M]-	59.074047	109.8

Literature stripe

literature stripe

Patent stripe

patents stripe