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

52
Patents

217.11028 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.117556 147.4
[M+Na]+ 240.099498 151.7
[M-H]- 216.103004 153.5
[M+NH4]+ 235.144103 158.9
[M+K]+ 256.073438 152.4
[M+H-H2O]+ 200.107540 134.9
[M+HCOO]- 262.108481 169.6
[M+CH3COO]- 276.124131 192.5
[M+Na-2H]- 238.084946 151.4
[M]+ 217.10973142 154.7
[M]- 217.11082858 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