CID 68700720

153138-00-2

Structural Information

Molecular Formula
C4H6N2O
SMILES
CC1=NC(=CO1)N
InChI
InChI=1S/C4H6N2O/c1-3-6-4(5)2-7-3/h2H,5H2,1H3
InChIKey
NJZGUJMVUBUAOC-UHFFFAOYSA-N
Compound name
2-methyl-1,3-oxazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

98.04801 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.055286 114.6
[M+Na]+ 121.037228 124.2
[M-H]- 97.040734 117.8
[M+NH4]+ 116.081833 136.9
[M+K]+ 137.011168 124.7
[M+H-H2O]+ 81.045270 109.0
[M+HCOO]- 143.046211 139.9
[M+CH3COO]- 157.061861 166.0
[M+Na-2H]- 119.022676 122.7
[M]+ 98.04746142 114.5
[M]- 98.04855858 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

No literature data available for this compound.

Patent stripe

patents stripe