CID 84788

15090-23-0

Structural Information

Molecular Formula
C4H9O4P
SMILES
CP(=O)(CCC(=O)O)O
InChI
InChI=1S/C4H9O4P/c1-9(7,8)3-2-4(5)6/h2-3H2,1H3,(H,5,6)(H,7,8)
InChIKey
QXFUBAAEKCHBQY-UHFFFAOYSA-N
Compound name
3-[hydroxy(methyl)phosphoryl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

5
References

1036
Patents

152.02385 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.03113 131.7
[M+Na]+ 175.01307 139.1
[M-H]- 151.01657 128.5
[M+NH4]+ 170.05767 152.0
[M+K]+ 190.98701 138.8
[M+H-H2O]+ 135.02111 125.9
[M+HCOO]- 197.02205 157.0
[M+CH3COO]- 211.03770 170.0
[M+Na-2H]- 172.99852 134.8
[M]+ 152.02330 133.3
[M]- 152.02440 133.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.