CID 1502045

D-beta-homoserine

Structural Information

Molecular Formula
C4H9NO3
SMILES
C([C@@H](CO)N)C(=O)O
InChI
InChI=1S/C4H9NO3/c5-3(2-6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
InChIKey
BUZICZZQJDLXJN-VKHMYHEASA-N
Compound name
(3S)-3-amino-4-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

189
Patents

119.05824 Da
Monoisotopic Mass

-4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.06552 123.8
[M+Na]+ 142.04746 129.9
[M-H]- 118.05096 121.1
[M+NH4]+ 137.09206 144.1
[M+K]+ 158.02140 129.6
[M+H-H2O]+ 102.05550 119.3
[M+HCOO]- 164.05644 144.5
[M+CH3COO]- 178.07209 166.9
[M+Na-2H]- 140.03291 127.3
[M]+ 119.05769 120.9
[M]- 119.05879 120.9
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