CID 154814442

2551120-70-6

Structural Information

Molecular Formula
C13H17NO2
SMILES
COC(=O)C1(CCNC1)CC2=CC=CC=C2
InChI
InChI=1S/C13H17NO2/c1-16-12(15)13(7-8-14-10-13)9-11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3
InChIKey
JUTJAQGZKMWHKJ-UHFFFAOYSA-N
Compound name
methyl 3-benzylpyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 151.3
[M+Na]+ 242.11515 156.7
[M-H]- 218.11865 154.8
[M+NH4]+ 237.15975 170.9
[M+K]+ 258.08909 153.9
[M+H-H2O]+ 202.12319 144.4
[M+HCOO]- 264.12413 170.8
[M+CH3COO]- 278.13978 182.6
[M+Na-2H]- 240.10060 154.7
[M]+ 219.12538 148.3
[M]- 219.12648 148.3
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

No patent data available for this compound.