CID 23563380

Benzyl 3-(methylamino)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CNC1CCN(C1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H18N2O2/c1-14-12-7-8-15(9-12)13(16)17-10-11-5-3-2-4-6-11/h2-6,12,14H,7-10H2,1H3
InChIKey
XGJOYHWLQXYOPI-UHFFFAOYSA-N
Compound name
benzyl 3-(methylamino)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

234.13683 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 154.0
[M+Na]+ 257.12605 158.9
[M-H]- 233.12955 158.8
[M+NH4]+ 252.17065 171.6
[M+K]+ 273.09999 156.7
[M+H-H2O]+ 217.13409 146.0
[M+HCOO]- 279.13503 176.0
[M+CH3COO]- 293.15068 191.0
[M+Na-2H]- 255.11150 156.6
[M]+ 234.13628 152.2
[M]- 234.13738 152.2
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