CID 440109

2-methylpropanoyl phosphate(2-)

Structural Information

Molecular Formula
C4H9O5P
SMILES
CC(C)C(=O)OP(=O)(O)O
InChI
InChI=1S/C4H9O5P/c1-3(2)4(5)9-10(6,7)8/h3H,1-2H3,(H2,6,7,8)
InChIKey
NFNSOHPYYIZPLS-UHFFFAOYSA-N
Compound name
phosphono 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

168.01875 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02603 133.7
[M+Na]+ 191.00797 140.8
[M-H]- 167.01147 130.6
[M+NH4]+ 186.05257 153.3
[M+K]+ 206.98191 141.6
[M+H-H2O]+ 151.01601 127.8
[M+HCOO]- 213.01695 158.3
[M+CH3COO]- 227.03260 172.4
[M+Na-2H]- 188.99342 135.8
[M]+ 168.01820 136.0
[M]- 168.01930 136.0
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

patents stripe