CID 4067274

78888-18-3

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC(C)(C)OC(=O)NCC=C
InChI
InChI=1S/C8H15NO2/c1-5-6-9-7(10)11-8(2,3)4/h5H,1,6H2,2-4H3,(H,9,10)
InChIKey
AWARHXCROCWEAK-UHFFFAOYSA-N
Compound name
tert-butyl N-prop-2-enylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1057
Patents

157.11028 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 135.8
[M+Na]+ 180.09950 142.4
[M-H]- 156.10300 136.3
[M+NH4]+ 175.14410 156.9
[M+K]+ 196.07344 142.2
[M+H-H2O]+ 140.10754 131.4
[M+HCOO]- 202.10848 158.4
[M+CH3COO]- 216.12413 179.2
[M+Na-2H]- 178.08495 141.5
[M]+ 157.10973 137.2
[M]- 157.11083 137.2
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