CID 84147

13999-34-3

Structural Information

Molecular Formula
C8H14N2O
SMILES
CC1=CC(=NO1)NC(C)(C)C
InChI
InChI=1S/C8H14N2O/c1-6-5-7(10-11-6)9-8(2,3)4/h5H,1-4H3,(H,9,10)
InChIKey
HNVLZJHZDQYSQR-UHFFFAOYSA-N
Compound name
N-tert-butyl-5-methyl-1,2-oxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

154.11061 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.117886 133.4
[M+Na]+ 177.099828 141.8
[M-H]- 153.103334 136.9
[M+NH4]+ 172.144433 153.9
[M+K]+ 193.073768 142.1
[M+H-H2O]+ 137.107870 127.8
[M+HCOO]- 199.108811 156.5
[M+CH3COO]- 213.124461 178.6
[M+Na-2H]- 175.085276 141.1
[M]+ 154.11006142 135.2
[M]- 154.11115858 135.2
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.