CID 13033202

5-methyl-1,2-oxazol-4-amine hydrochloride

Structural Information

Molecular Formula
C4H6N2O
SMILES
CC1=C(C=NO1)N
InChI
InChI=1S/C4H6N2O/c1-3-4(5)2-6-7-3/h2H,5H2,1H3
InChIKey
QGMHRTDVNDXDBB-UHFFFAOYSA-N
Compound name
5-methyl-1,2-oxazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

98.04801 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.055286 114.6
[M+Na]+ 121.03723 124.2
[M-H]- 97.040734 117.8
[M+NH4]+ 116.08183 136.9
[M+K]+ 137.01117 124.7
[M+H-H2O]+ 81.045270 109.0
[M+HCOO]- 143.04621 139.9
[M+CH3COO]- 157.06186 166.0
[M+Na-2H]- 119.02268 122.7
[M]+ 98.047461 114.5
[M]- 98.048559 114.5
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