CID 138453951

Methyldehydrofosmidomycin

Structural Information

Molecular Formula
C4H10NO3P
SMILES
CNC/C=C/P(=O)(O)O
InChI
InChI=1S/C4H10NO3P/c1-5-3-2-4-9(6,7)8/h2,4-5H,3H2,1H3,(H2,6,7,8)/b4-2+
InChIKey
KGGGOZQBWFOSDS-DUXPYHPUSA-N
Compound name
[(E)-3-(methylamino)prop-1-enyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.03983 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.04711 133.4
[M+Na]+ 174.02905 140.1
[M-H]- 150.03255 129.9
[M+NH4]+ 169.07365 153.4
[M+K]+ 190.00299 138.8
[M+H-H2O]+ 134.03709 127.1
[M+HCOO]- 196.03803 160.3
[M+CH3COO]- 210.05368 171.4
[M+Na-2H]- 172.01450 137.6
[M]+ 151.03928 133.1
[M]- 151.04038 133.1
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

No patent data available for this compound.