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]+ 235.144106 154.0
[M+Na]+ 257.126048 158.9
[M-H]- 233.129554 158.8
[M+NH4]+ 252.170653 171.6
[M+K]+ 273.099988 156.7
[M+H-H2O]+ 217.134090 146.0
[M+HCOO]- 279.135031 176.0
[M+CH3COO]- 293.150681 191.0
[M+Na-2H]- 255.111496 156.6
[M]+ 234.13628142 152.2
[M]- 234.13737858 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