CID 137964646

2307784-10-5

Structural Information

Molecular Formula
C13H17NO2
SMILES
COC(=O)[C@@H]1CNC[C@H]1CC2=CC=CC=C2
InChI
InChI=1S/C13H17NO2/c1-16-13(15)12-9-14-8-11(12)7-10-5-3-2-4-6-10/h2-6,11-12,14H,7-9H2,1H3/t11-,12-/m1/s1
InChIKey
RMDCSPLWOJAIFR-VXGBXAGGSA-N
Compound name
methyl (3S,4S)-4-benzylpyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

219.12593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.133206 150.9
[M+Na]+ 242.115148 156.3
[M-H]- 218.118654 154.4
[M+NH4]+ 237.159753 168.7
[M+K]+ 258.089088 153.2
[M+H-H2O]+ 202.123190 143.6
[M+HCOO]- 264.124131 170.4
[M+CH3COO]- 278.139781 184.1
[M+Na-2H]- 240.100596 152.6
[M]+ 219.12538142 148.0
[M]- 219.12647858 148.0
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