CID 440109

2-methylpropanoyl phosphate

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

87
Patents

168.01875 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.026026 133.7
[M+Na]+ 191.007968 140.8
[M-H]- 167.011474 130.6
[M+NH4]+ 186.052573 153.3
[M+K]+ 206.981908 141.6
[M+H-H2O]+ 151.016010 127.8
[M+HCOO]- 213.016951 158.3
[M+CH3COO]- 227.032601 172.4
[M+Na-2H]- 188.993416 135.8
[M]+ 168.01820142 136.0
[M]- 168.01929858 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