CID 59394716

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

Structural Information

Molecular Formula
C8H14N2O
SMILES
CC(C)(C)CC1=CC(=NO1)N
InChI
InChI=1S/C8H14N2O/c1-8(2,3)5-6-4-7(9)10-11-6/h4H,5H2,1-3H3,(H2,9,10)
InChIKey
VMGAMLNPHPPPQF-UHFFFAOYSA-N
Compound name
5-(2,2-dimethylpropyl)-1,2-oxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

154.11061 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.11789 133.8
[M+Na]+ 177.09983 142.2
[M-H]- 153.10333 136.7
[M+NH4]+ 172.14443 154.1
[M+K]+ 193.07377 142.1
[M+H-H2O]+ 137.10787 128.2
[M+HCOO]- 199.10881 156.3
[M+CH3COO]- 213.12446 177.9
[M+Na-2H]- 175.08528 140.4
[M]+ 154.11006 134.6
[M]- 154.11116 134.6
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