CID 44828633

2103401-56-3

Structural Information

Molecular Formula
C12H15NO2
SMILES
CC1=CC(=CC=C1)[C@H]2CNC[C@@H]2C(=O)O
InChI
InChI=1S/C12H15NO2/c1-8-3-2-4-9(5-8)10-6-13-7-11(10)12(14)15/h2-5,10-11,13H,6-7H2,1H3,(H,14,15)/t10-,11+/m1/s1
InChIKey
UDNDGSKOCKZZPN-MNOVXSKESA-N
Compound name
(3R,4S)-4-(3-methylphenyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

205.11028 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 146.3
[M+Na]+ 228.09950 152.5
[M-H]- 204.10300 148.9
[M+NH4]+ 223.14410 164.2
[M+K]+ 244.07344 148.8
[M+H-H2O]+ 188.10754 139.7
[M+HCOO]- 250.10848 164.5
[M+CH3COO]- 264.12413 180.5
[M+Na-2H]- 226.08495 147.4
[M]+ 205.10973 141.7
[M]- 205.11083 141.7
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