CID 439893

2-amino-3-hydroxy-2-(hydroxymethyl)propanoic acid

Structural Information

Molecular Formula
C4H9NO4
SMILES
C(C(CO)(C(=O)O)N)O
InChI
InChI=1S/C4H9NO4/c5-4(1-6,2-7)3(8)9/h6-7H,1-2,5H2,(H,8,9)
InChIKey
ZRPDXDBGEYHEBJ-UHFFFAOYSA-N
Compound name
2-amino-3-hydroxy-2-(hydroxymethyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

172
Patents

135.05316 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.060436 126.2
[M+Na]+ 158.042378 132.3
[M-H]- 134.045884 122.1
[M+NH4]+ 153.086983 145.1
[M+K]+ 174.016318 131.6
[M+H-H2O]+ 118.050420 122.2
[M+HCOO]- 180.051361 144.9
[M+CH3COO]- 194.067011 166.1
[M+Na-2H]- 156.027826 131.2
[M]+ 135.05261142 122.9
[M]- 135.05370858 122.9
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