CID 2762123

(3s,4r)-4-m-tolylpyrrolidine-3-carboxylic acid

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+/m0/s1
InChIKey
UDNDGSKOCKZZPN-WDEREUQCSA-N
Compound name
(3S,4R)-4-(3-methylphenyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
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 147.1
[M+Na]+ 228.09950 157.7
[M+NH4]+ 223.14410 154.6
[M+K]+ 244.07344 154.2
[M-H]- 204.10300 148.7
[M+Na-2H]- 226.08495 152.1
[M]+ 205.10973 148.8
[M]- 205.11083 148.8
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