CID 164943797

Tert-butyl (3-(cyanomethylene)cyclobutyl)carbamate

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CC(C)(C)OC(=O)NC1CC(=CC#N)C1
InChI
InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-9-6-8(7-9)4-5-12/h4,9H,6-7H2,1-3H3,(H,13,14)
InChIKey
AFMDBGUELPGFGB-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(cyanomethylidene)cyclobutyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

208.12119 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 148.9
[M+Na]+ 231.11041 154.5
[M-H]- 207.11391 152.1
[M+NH4]+ 226.15501 160.0
[M+K]+ 247.08435 157.7
[M+H-H2O]+ 191.11845 132.3
[M+HCOO]- 253.11939 165.4
[M+CH3COO]- 267.13504 202.3
[M+Na-2H]- 229.09586 151.7
[M]+ 208.12064 151.4
[M]- 208.12174 151.4
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