CID 40815973

3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine

Structural Information

Molecular Formula
C8H14N2O
SMILES
CCC(C)(C)C1=NOC(=C1)N
InChI
InChI=1S/C8H14N2O/c1-4-8(2,3)6-5-7(9)11-10-6/h5H,4,9H2,1-3H3
InChIKey
KPFDFEIXPQVFPU-UHFFFAOYSA-N
Compound name
3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

154.11061 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.11789 133.6
[M+Na]+ 177.09983 141.9
[M-H]- 153.10333 136.5
[M+NH4]+ 172.14443 153.7
[M+K]+ 193.07377 141.7
[M+H-H2O]+ 137.10787 128.0
[M+HCOO]- 199.10881 156.0
[M+CH3COO]- 213.12446 178.6
[M+Na-2H]- 175.08528 140.2
[M]+ 154.11006 134.5
[M]- 154.11116 134.5
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