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

29
Patents

205.11028 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.117556 145.7
[M+Na]+ 228.099498 152.5
[M-H]- 204.103004 149.8
[M+NH4]+ 223.144103 166.2
[M+K]+ 244.073438 149.9
[M+H-H2O]+ 188.107540 139.4
[M+HCOO]- 250.108481 165.6
[M+CH3COO]- 264.124131 181.3
[M+Na-2H]- 226.084946 149.1
[M]+ 205.10973142 142.9
[M]- 205.11082858 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