CID 28665566

5-tert-butyl-1,3-benzoxazol-2-amine

Structural Information

Molecular Formula
C11H14N2O
SMILES
CC(C)(C)C1=CC2=C(C=C1)OC(=N2)N
InChI
InChI=1S/C11H14N2O/c1-11(2,3)7-4-5-9-8(6-7)13-10(12)14-9/h4-6H,1-3H3,(H2,12,13)
InChIKey
DQUOOHJLHOWIHQ-UHFFFAOYSA-N
Compound name
5-tert-butyl-1,3-benzoxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

190.11061 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 141.3
[M+Na]+ 213.09983 152.0
[M-H]- 189.10333 145.9
[M+NH4]+ 208.14443 161.6
[M+K]+ 229.07377 150.1
[M+H-H2O]+ 173.10787 135.7
[M+HCOO]- 235.10881 164.2
[M+CH3COO]- 249.12446 185.2
[M+Na-2H]- 211.08528 149.6
[M]+ 190.11006 144.0
[M]- 190.11116 144.0
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