CID 2095694

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

Structural Information

Molecular Formula
C7H12N2O
SMILES
CC(C)(C)C1=NOC(=C1)N
InChI
InChI=1S/C7H12N2O/c1-7(2,3)5-4-6(8)10-9-5/h4H,8H2,1-3H3
InChIKey
APHNQOGPYLTSFX-UHFFFAOYSA-N
Compound name
3-tert-butyl-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

438
Patents

140.09496 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 129.1
[M+Na]+ 163.08418 137.9
[M-H]- 139.08768 132.2
[M+NH4]+ 158.12878 149.9
[M+K]+ 179.05812 138.1
[M+H-H2O]+ 123.09222 123.7
[M+HCOO]- 185.09316 151.9
[M+CH3COO]- 199.10881 174.8
[M+Na-2H]- 161.06963 136.2
[M]+ 140.09441 129.5
[M]- 140.09551 129.5
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