CID 59670927

1-methyl-3-phenylpyrrolidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C12H15NO2
SMILES
CN1CCC(C1)(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C12H15NO2/c1-13-8-7-12(9-13,11(14)15)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,15)
InChIKey
BLGSAZLPQQGVEH-UHFFFAOYSA-N
Compound name
1-methyl-3-phenylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

205.11028 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 145.7
[M+Na]+ 228.09950 152.5
[M-H]- 204.10300 149.8
[M+NH4]+ 223.14410 166.2
[M+K]+ 244.07344 149.9
[M+H-H2O]+ 188.10754 139.4
[M+HCOO]- 250.10848 165.6
[M+CH3COO]- 264.12413 181.3
[M+Na-2H]- 226.08495 149.1
[M]+ 205.10973 142.9
[M]- 205.11083 142.9
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