CID 13309592

Carboxazole

Structural Information

Molecular Formula
C9H14N2O3
SMILES
CC(C)(C)C1=CC(=NO1)NC(=O)OC
InChI
InChI=1S/C9H14N2O3/c1-9(2,3)6-5-7(11-14-6)10-8(12)13-4/h5H,1-4H3,(H,10,11,12)
InChIKey
ZGUYPJJFHYFLBV-UHFFFAOYSA-N
Compound name
methyl N-(5-tert-butyl-1,2-oxazol-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4824
Patents

198.10045 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.10773 143.4
[M+Na]+ 221.08967 151.3
[M-H]- 197.09317 146.9
[M+NH4]+ 216.13427 162.0
[M+K]+ 237.06361 152.3
[M+H-H2O]+ 181.09771 137.5
[M+HCOO]- 243.09865 165.9
[M+CH3COO]- 257.11430 184.4
[M+Na-2H]- 219.07512 149.5
[M]+ 198.09990 147.0
[M]- 198.10100 147.0
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