CID 49867457

Ns00072818

Structural Information

Molecular Formula
C3H7O4P
SMILES
C(CO)COP(=O)=O
InChI
InChI=1S/C3H7O4P/c4-2-1-3-7-8(5)6/h4H,1-3H2
InChIKey
ARGGXLVXBNBKMN-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.0082 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.015476 125.2
[M+Na]+ 160.997418 133.0
[M-H]- 137.000924 123.3
[M+NH4]+ 156.042023 146.7
[M+K]+ 176.971358 133.5
[M+H-H2O]+ 121.005460 118.7
[M+HCOO]- 183.006401 154.0
[M+CH3COO]- 197.022051 169.4
[M+Na-2H]- 158.982866 128.5
[M]+ 138.00765142 128.9
[M]- 138.00874858 128.9
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.