CID 162485557

3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-amine

Structural Information

Molecular Formula
C9H14N2O
SMILES
CC1(CC(C1)C2=NOC(=C2)N)C
InChI
InChI=1S/C9H14N2O/c1-9(2)4-6(5-9)7-3-8(10)12-11-7/h3,6H,4-5,10H2,1-2H3
InChIKey
FPVJIZIHNFOULB-UHFFFAOYSA-N
Compound name
3-(3,3-dimethylcyclobutyl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

166.11061 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.117886 132.6
[M+Na]+ 189.099828 139.9
[M-H]- 165.103334 138.8
[M+NH4]+ 184.144433 147.7
[M+K]+ 205.073768 142.1
[M+H-H2O]+ 149.107870 122.3
[M+HCOO]- 211.108811 154.5
[M+CH3COO]- 225.124461 183.4
[M+Na-2H]- 187.085276 138.0
[M]+ 166.11006142 140.9
[M]- 166.11115858 140.9
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

patents stripe