CID 77261009

1934251-75-8

Structural Information

Molecular Formula
C14H17NO5
SMILES
CC1(CC(CN1C(=O)OCC2=CC=CC=C2)O)C(=O)O
InChI
InChI=1S/C14H17NO5/c1-14(12(17)18)7-11(16)8-15(14)13(19)20-9-10-5-3-2-4-6-10/h2-6,11,16H,7-9H2,1H3,(H,17,18)
InChIKey
FHOUWOVYDRADDP-UHFFFAOYSA-N
Compound name
4-hydroxy-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

279.1107 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11798 162.3
[M+Na]+ 302.09992 168.4
[M-H]- 278.10342 165.1
[M+NH4]+ 297.14452 179.0
[M+K]+ 318.07386 166.3
[M+H-H2O]+ 262.10796 156.1
[M+HCOO]- 324.10890 179.7
[M+CH3COO]- 338.12455 191.3
[M+Na-2H]- 300.08537 162.9
[M]+ 279.11015 161.7
[M]- 279.11125 161.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe