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

80
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 140.2
[M+Na]+ 213.09983 153.2
[M+NH4]+ 208.14443 148.8
[M+K]+ 229.07377 149.6
[M-H]- 189.10333 143.5
[M+Na-2H]- 211.08528 146.3
[M]+ 190.11006 143.1
[M]- 190.11116 143.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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