CID 5810

L-hydroxyproline

Structural Information

Molecular Formula
C5H9NO3
SMILES
C1[C@H](CN[C@@H]1C(=O)O)O
InChI
InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
InChIKey
PMMYEEVYMWASQN-DMTCNVIQSA-N
Compound name
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

11290
References

112032
Patents

131.05824 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.065516 126.4
[M+Na]+ 154.047458 132.8
[M-H]- 130.050964 124.5
[M+NH4]+ 149.092063 146.5
[M+K]+ 170.021398 131.2
[M+H-H2O]+ 114.055500 121.4
[M+HCOO]- 176.056441 144.0
[M+CH3COO]- 190.072091 162.2
[M+Na-2H]- 152.032906 128.9
[M]+ 131.05769142 120.8
[M]- 131.05878858 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