CID 6367072

61341-13-7

Structural Information

Molecular Formula
C4H9NO4P
SMILES
C(C(N)[P+](=O)CO)C(=O)O
InChI
InChI=1S/C4H8NO4P/c5-3(1-4(7)8)10(9)2-6/h3,6H,1-2,5H2/p+1
InChIKey
CVVMXTUTNOYHRH-UHFFFAOYSA-O
Compound name
(1-amino-2-carboxyethyl)-(hydroxymethyl)-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.02692 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03420 134.1
[M+Na]+ 189.01614 139.7
[M-H]- 165.01964 130.5
[M+NH4]+ 184.06074 152.6
[M+K]+ 204.99008 134.2
[M+H-H2O]+ 149.02418 130.1
[M+HCOO]- 211.02512 159.1
[M+CH3COO]- 225.04077 168.3
[M+Na-2H]- 187.00159 135.6
[M]+ 166.02637 131.5
[M]- 166.02747 131.5
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.