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

946
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

literature stripe

Patent stripe

patents stripe