CID 12580405

2173998-79-1

Structural Information

Molecular Formula
C5H8N2O
SMILES
CC1=CC(=NO1)NC
InChI
InChI=1S/C5H8N2O/c1-4-3-5(6-2)7-8-4/h3H,1-2H3,(H,6,7)
InChIKey
RIFXNGHPOLZJLA-UHFFFAOYSA-N
Compound name
N,5-dimethyl-1,2-oxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

249
Patents

112.06366 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.070936 118.9
[M+Na]+ 135.052878 128.1
[M-H]- 111.056384 122.4
[M+NH4]+ 130.097483 140.9
[M+K]+ 151.026818 128.7
[M+H-H2O]+ 95.060920 113.1
[M+HCOO]- 157.061861 144.6
[M+CH3COO]- 171.077511 169.8
[M+Na-2H]- 133.038326 127.5
[M]+ 112.06311142 120.2
[M]- 112.06420858 120.2
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