CID 6335948

3-aminopropylphosphinic acid

Structural Information

Molecular Formula
C3H9NO2P
SMILES
C(CN)C[P+](=O)O
InChI
InChI=1S/C3H8NO2P/c4-2-1-3-7(5)6/h1-4H2/p+1
InChIKey
MQIWYGZSHIXQIU-UHFFFAOYSA-O
Compound name
3-aminopropyl-hydroxy-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

34
References

669
Patents

122.037094 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.04437 124.8
[M+Na]+ 145.02631 131.7
[M-H]- 121.02982 122.7
[M+NH4]+ 140.07092 146.2
[M+K]+ 161.00025 126.0
[M+H-H2O]+ 105.03435 121.1
[M+HCOO]- 167.03530 153.0
[M+CH3COO]- 181.05094 163.2
[M+Na-2H]- 143.01176 129.6
[M]+ 122.03655 123.1
[M]- 122.03764 123.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe