CID 52688

Brn 2087420

Structural Information

Molecular Formula
C5H12NO4P
SMILES
CC(CP(=O)(C)O)(C(=O)O)N
InChI
InChI=1S/C5H12NO4P/c1-5(6,4(7)8)3-11(2,9)10/h3,6H2,1-2H3,(H,7,8)(H,9,10)
InChIKey
HBKBFGMDAYZRHG-UHFFFAOYSA-N
Compound name
2-amino-3-[hydroxy(methyl)phosphoryl]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.0504 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.05768 140.6
[M+Na]+ 204.03962 146.9
[M-H]- 180.04312 136.8
[M+NH4]+ 199.08422 159.0
[M+K]+ 220.01356 146.5
[M+H-H2O]+ 164.04766 134.6
[M+HCOO]- 226.04860 164.2
[M+CH3COO]- 240.06425 178.0
[M+Na-2H]- 202.02507 143.3
[M]+ 181.04985 139.9
[M]- 181.05095 139.9
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.