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

7
Annotation Hits: 648
References: 130371
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	109.4
[M+Na]+	82.062716	117.0
[M-H]-	58.066222	109.6
[M+NH4]+	77.107321	133.9
[M+K]+	98.036656	117.3
[M+H-H2O]+	42.070758	105.4
[M+HCOO]-	104.07170	134.5
[M+CH3COO]-	118.08735	162.1
[M+Na-2H]-	80.048164	117.3
[M]+	59.072949	107.7
[M]-	59.074047	107.7

Literature stripe

literature stripe

Patent stripe

patents stripe