CID 562947

Methyl 1-benzylpyrrolidine-2-carboxylate

Structural Information

Molecular Formula
C13H17NO2
SMILES
COC(=O)C1CCCN1CC2=CC=CC=C2
InChI
InChI=1S/C13H17NO2/c1-16-13(15)12-8-5-9-14(12)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-10H2,1H3
InChIKey
NGJACAHAGMHHQT-UHFFFAOYSA-N
Compound name
methyl 1-benzylpyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

219.12593 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 150.4
[M+Na]+ 242.11515 156.2
[M-H]- 218.11865 155.2
[M+NH4]+ 237.15975 168.9
[M+K]+ 258.08909 154.0
[M+H-H2O]+ 202.12319 142.8
[M+HCOO]- 264.12413 171.4
[M+CH3COO]- 278.13978 186.7
[M+Na-2H]- 240.10060 152.5
[M]+ 219.12538 149.4
[M]- 219.12648 149.4
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