CID 3045971

61341-15-9

Structural Information

Molecular Formula
C4H10NO5P
SMILES
COC(=O)CC(N)P(=O)(O)O
InChI
InChI=1S/C4H10NO5P/c1-10-4(6)2-3(5)11(7,8)9/h3H,2,5H2,1H3,(H2,7,8,9)
InChIKey
CAVPCAWZXLCJGO-UHFFFAOYSA-N
Compound name
(1-amino-3-methoxy-3-oxopropyl)phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.02966 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.03694 138.1
[M+Na]+ 206.01888 144.2
[M-H]- 182.02238 134.3
[M+NH4]+ 201.06348 156.4
[M+K]+ 221.99282 144.7
[M+H-H2O]+ 166.02692 131.5
[M+HCOO]- 228.02786 163.0
[M+CH3COO]- 242.04351 177.0
[M+Na-2H]- 204.00433 139.2
[M]+ 183.02911 138.4
[M]- 183.03021 138.4
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

No patent data available for this compound.