CID 15720538

9013-09-6

Structural Information

Molecular Formula
C3H3O5P
SMILES
C(C(=O)C(=O)O)P(=O)=O
InChI
InChI=1S/C3H3O5P/c4-2(3(5)6)1-9(7)8/h1H2,(H,5,6)
InChIKey
RRRAQRXOSDDQJI-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

40
Patents

149.97182 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.97910 123.7
[M+Na]+ 172.96104 131.6
[M-H]- 148.96454 122.0
[M+NH4]+ 168.00564 144.3
[M+K]+ 188.93498 132.4
[M+H-H2O]+ 132.96908 117.4
[M+HCOO]- 194.97002 151.1
[M+CH3COO]- 208.98567 171.3
[M+Na-2H]- 170.94649 124.8
[M]+ 149.97127 126.2
[M]- 149.97237 126.2
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