CID 2115208

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

Structural Information

Molecular Formula
C6H10N2O
SMILES
CC(C)C1=NOC(=C1)N
InChI
InChI=1S/C6H10N2O/c1-4(2)5-3-6(7)9-8-5/h3-4H,7H2,1-2H3
InChIKey
GHLVMBXOBZVJIC-UHFFFAOYSA-N
Compound name
3-propan-2-yl-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

143
Patents

126.079315 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.086591 124.9
[M+Na]+ 149.068533 133.4
[M-H]- 125.072039 127.9
[M+NH4]+ 144.113138 146.0
[M+K]+ 165.042473 133.8
[M+H-H2O]+ 109.076575 119.0
[M+HCOO]- 171.077516 148.6
[M+CH3COO]- 185.093166 173.0
[M+Na-2H]- 147.053981 130.6
[M]+ 126.07876642 124.9
[M]- 126.07986358 124.9
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