CID 11160259

130368-98-8

Structural Information

Molecular Formula
C13H15NO2
SMILES
C=C1CC(C1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H15NO2/c1-10-7-12(8-10)14-13(15)16-9-11-5-3-2-4-6-11/h2-6,12H,1,7-9H2,(H,14,15)
InChIKey
HYOKBMVQTGNOCY-UHFFFAOYSA-N
Compound name
benzyl N-(3-methylidenecyclobutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

217.11028 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11756 147.4
[M+Na]+ 240.09950 151.7
[M-H]- 216.10300 153.5
[M+NH4]+ 235.14410 158.9
[M+K]+ 256.07344 152.4
[M+H-H2O]+ 200.10754 134.9
[M+HCOO]- 262.10848 169.6
[M+CH3COO]- 276.12413 192.5
[M+Na-2H]- 238.08495 151.4
[M]+ 217.10973 154.7
[M]- 217.11083 154.7
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

patents stripe