CID 440575

Trans-3-hydroxy-l-proline

Structural Information

Molecular Formula
C5H9NO3
SMILES
C1CN[C@@H]([C@H]1O)C(=O)O
InChI
InChI=1S/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1
InChIKey
BJBUEDPLEOHJGE-IMJSIDKUSA-N
Compound name
(2S,3S)-3-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

48
References

13815
Patents

131.05824 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 126.4
[M+Na]+ 154.04746 132.8
[M-H]- 130.05096 124.5
[M+NH4]+ 149.09206 146.5
[M+K]+ 170.02140 131.2
[M+H-H2O]+ 114.05550 121.4
[M+HCOO]- 176.05644 144.0
[M+CH3COO]- 190.07209 162.2
[M+Na-2H]- 152.03291 128.9
[M]+ 131.05769 120.8
[M]- 131.05879 120.8
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