CID 7010355

2812-28-4

Structural Information

Molecular Formula
C5H11NO3
SMILES
C[C@H]([C@@H](C(=O)O)NC)O
InChI
InChI=1S/C5H11NO3/c1-3(7)4(6-2)5(8)9/h3-4,6-7H,1-2H3,(H,8,9)/t3-,4+/m1/s1
InChIKey
CCAIIPMIAFGKSI-DMTCNVIQSA-N
Compound name
(2S,3R)-3-hydroxy-2-(methylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3974
Patents

133.0739 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.08118 128.3
[M+Na]+ 156.06312 133.8
[M-H]- 132.06662 126.0
[M+NH4]+ 151.10772 148.3
[M+K]+ 172.03706 134.1
[M+H-H2O]+ 116.07116 123.8
[M+HCOO]- 178.07210 148.3
[M+CH3COO]- 192.08775 171.5
[M+Na-2H]- 154.04857 131.1
[M]+ 133.07335 126.2
[M]- 133.07445 126.2
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