CID 178368

Ampropylfos

Structural Information

Molecular Formula

C₃H₁₀NO₃P

SMILES

CCC(N)P(=O)(O)O

InChI

InChI=1S/C3H10NO3P/c1-2-3(4)8(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)

InChIKey

DELJNDWGTWHHFA-UHFFFAOYSA-N

Compound name

1-aminopropylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 9788
Patents: 139.03983 Da
Monoisotopic Mass: -3.8
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]+	140.04711	130.8
[M+Na]+	162.02905	137.4
[M-H]-	138.03255	127.1
[M+NH4]+	157.07365	151.0
[M+K]+	178.00299	137.1
[M+H-H2O]+	122.03709	124.7
[M+HCOO]-	184.03803	156.3
[M+CH3COO]-	198.05368	170.3
[M+Na-2H]-	160.01450	133.1
[M]+	139.03928	129.2
[M]-	139.04038	129.2

Literature stripe

literature stripe

Patent stripe

patents stripe