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]+ 235.144106 154.1
[M+Na]+ 257.126048 160.0
[M-H]- 233.129554 158.8
[M+NH4]+ 252.170653 173.5
[M+K]+ 273.099988 157.7
[M+H-H2O]+ 217.134090 146.9
[M+HCOO]- 279.135031 175.5
[M+CH3COO]- 293.150681 189.9
[M+Na-2H]- 255.111496 156.9
[M]+ 234.13628142 151.6
[M]- 234.13737858 151.6
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.