CID 529

2-phosphoglycolic acid

Structural Information

Molecular Formula
C2H5O6P
SMILES
C(C(=O)O)OP(=O)(O)O
InChI
InChI=1S/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
InChIKey
ASCFNMCAHFUBCO-UHFFFAOYSA-N
Compound name
2-phosphonooxyacetic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

217
References

1361
Patents

155.98238 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.98966 127.6
[M+Na]+ 178.97160 135.0
[M-H]- 154.97510 123.1
[M+NH4]+ 174.01620 146.7
[M+K]+ 194.94554 135.4
[M+H-H2O]+ 138.97964 121.7
[M+HCOO]- 200.98058 152.4
[M+CH3COO]- 214.99623 165.9
[M+Na-2H]- 176.95705 131.4
[M]+ 155.98183 129.3
[M]- 155.98293 129.3
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