CID 15967

Terbucarb

Structural Information

Molecular Formula
C17H27NO2
SMILES
CC1=CC(=C(C(=C1)C(C)(C)C)OC(=O)NC)C(C)(C)C
InChI
InChI=1S/C17H27NO2/c1-11-9-12(16(2,3)4)14(20-15(19)18-8)13(10-11)17(5,6)7/h9-10H,1-8H3,(H,18,19)
InChIKey
PNRAZZZISDRWMV-UHFFFAOYSA-N
Compound name
(2,6-ditert-butyl-4-methylphenyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

9390
Patents

277.2042 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.21148 169.7
[M+Na]+ 300.19342 180.0
[M+NH4]+ 295.23802 176.1
[M+K]+ 316.16736 175.3
[M-H]- 276.19692 170.5
[M+Na-2H]- 298.17887 173.9
[M]+ 277.20365 171.4
[M]- 277.20475 171.4
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