CID 12009934

88701-03-5

Structural Information

Molecular Formula
C7H14NO4P
SMILES
CC(C)(CP(=O)(O)O)NC(=O)C=C
InChI
InChI=1S/C7H14NO4P/c1-4-6(9)8-7(2,3)5-13(10,11)12/h4H,1,5H2,2-3H3,(H,8,9)(H2,10,11,12)
InChIKey
KWKOTMDQAMKXQF-UHFFFAOYSA-N
Compound name
[2-methyl-2-(prop-2-enoylamino)propyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1723
Patents

207.06604 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.073316 147.9
[M+Na]+ 230.055258 153.8
[M-H]- 206.058764 144.4
[M+NH4]+ 225.099863 165.7
[M+K]+ 246.029198 152.7
[M+H-H2O]+ 190.063300 141.8
[M+HCOO]- 252.064241 171.9
[M+CH3COO]- 266.079891 183.0
[M+Na-2H]- 228.040706 150.9
[M]+ 207.06549142 148.4
[M]- 207.06658858 148.4
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