CID 4369587

(s)-2-hydroxypropylphosphonate

Structural Information

Molecular Formula
C3H9O4P
SMILES
C[C@@H](CP(=O)(O)O)O
InChI
InChI=1S/C3H9O4P/c1-3(4)2-8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m0/s1
InChIKey
ZFVCONUOLQASEW-VKHMYHEASA-N
Compound name
[(2S)-2-hydroxypropyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4
Patents

140.02385 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.03113 130.1
[M+Na]+ 163.01307 137.1
[M-H]- 139.01657 125.5
[M+NH4]+ 158.05767 150.2
[M+K]+ 178.98701 136.8
[M+H-H2O]+ 123.02111 124.5
[M+HCOO]- 185.02205 153.9
[M+CH3COO]- 199.03770 165.5
[M+Na-2H]- 160.99852 132.9
[M]+ 140.02330 130.0
[M]- 140.02440 130.0
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