CID 3831196

Alpha-map4

Structural Information

Molecular Formula
C5H12NO5P
SMILES
CC(CCP(=O)(O)O)(C(=O)O)N
InChI
InChI=1S/C5H12NO5P/c1-5(6,4(7)8)2-3-12(9,10)11/h2-3,6H2,1H3,(H,7,8)(H2,9,10,11)
InChIKey
HONKEGXLWUDTCF-UHFFFAOYSA-N
Compound name
2-amino-2-methyl-4-phosphonobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

24
References

146
Patents

197.0453 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.052576 143.7
[M+Na]+ 220.034518 149.4
[M-H]- 196.038024 138.4
[M+NH4]+ 215.079123 160.6
[M+K]+ 236.008458 148.7
[M+H-H2O]+ 180.042560 137.6
[M+HCOO]- 242.043501 166.0
[M+CH3COO]- 256.059151 177.9
[M+Na-2H]- 218.019966 146.2
[M]+ 197.04475142 142.5
[M]- 197.04584858 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe