CID 81252

2-isobutylbenzoxazole

Structural Information

Molecular Formula
C11H13NO
SMILES
CC(C)CC1=NC2=CC=CC=C2O1
InChI
InChI=1S/C11H13NO/c1-8(2)7-11-12-9-5-3-4-6-10(9)13-11/h3-6,8H,7H2,1-2H3
InChIKey
ZORIKMFUXMCILS-UHFFFAOYSA-N
Compound name
2-(2-methylpropyl)-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

175.09972 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 136.1
[M+Na]+ 198.088938 145.9
[M-H]- 174.092444 140.5
[M+NH4]+ 193.133543 157.0
[M+K]+ 214.062878 144.6
[M+H-H2O]+ 158.096980 130.0
[M+HCOO]- 220.097921 159.2
[M+CH3COO]- 234.113571 181.1
[M+Na-2H]- 196.074386 143.7
[M]+ 175.09917142 140.1
[M]- 175.10026858 140.1
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

No patent data available for this compound.