CID 39871619

1989638-13-2

Structural Information

Molecular Formula
C12H16N2O2
SMILES
C1C(CC1NC(=O)OCC2=CC=CC=C2)N
InChI
InChI=1S/C12H16N2O2/c13-10-6-11(7-10)14-12(15)16-8-9-4-2-1-3-5-9/h1-5,10-11H,6-8,13H2,(H,14,15)
InChIKey
DYQPBEFYUZWUNL-UHFFFAOYSA-N
Compound name
benzyl N-(3-aminocyclobutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.12119 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.12847 153.4
[M+Na]+ 243.11041 158.6
[M+NH4]+ 238.15501 156.9
[M+K]+ 259.08435 154.9
[M-H]- 219.11391 154.2
[M+Na-2H]- 241.09586 156.8
[M]+ 220.12064 152.8
[M]- 220.12174 152.8
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.