CID 101987

Z-pro-oh

Structural Information

Molecular Formula
C13H15NO4
SMILES
C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H15NO4/c15-12(16)11-7-4-8-14(11)13(17)18-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,15,16)/t11-/m0/s1
InChIKey
JXGVXCZADZNAMJ-NSHDSACASA-N
Compound name
(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

3199
Patents

249.10011 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10739 156.7
[M+Na]+ 272.08933 166.0
[M+NH4]+ 267.13393 162.8
[M+K]+ 288.06327 163.6
[M-H]- 248.09283 157.2
[M+Na-2H]- 270.07478 160.9
[M]+ 249.09956 157.7
[M]- 249.10066 157.7
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