CID 251740

Tert-butyl n-ethenylcarbamate

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC(C)(C)OC(=O)NC=C
InChI
InChI=1S/C7H13NO2/c1-5-8-6(9)10-7(2,3)4/h5H,1H2,2-4H3,(H,8,9)
InChIKey
SJDWKAHMQWSMPV-UHFFFAOYSA-N
Compound name
tert-butyl N-ethenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

258
Patents

143.09464 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 131.1
[M+Na]+ 166.083858 138.2
[M-H]- 142.087364 131.8
[M+NH4]+ 161.128463 152.8
[M+K]+ 182.057798 138.2
[M+H-H2O]+ 126.091900 126.9
[M+HCOO]- 188.092841 154.1
[M+CH3COO]- 202.108491 176.1
[M+Na-2H]- 164.069306 137.4
[M]+ 143.09409142 132.1
[M]- 143.09518858 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe