CID 45489884

Benzyl 3-amino-3-methylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CC1(CCN(C1)C(=O)OCC2=CC=CC=C2)N
InChI
InChI=1S/C13H18N2O2/c1-13(14)7-8-15(10-13)12(16)17-9-11-5-3-2-4-6-11/h2-6H,7-10,14H2,1H3
InChIKey
YUBXVEPWFANRDT-UHFFFAOYSA-N
Compound name
benzyl 3-amino-3-methylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 154.8
[M+Na]+ 257.12605 164.5
[M+NH4]+ 252.17065 163.6
[M+K]+ 273.09999 158.9
[M-H]- 233.12955 157.3
[M+Na-2H]- 255.11150 161.8
[M]+ 234.13628 156.7
[M]- 234.13738 156.7
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.