CID 67389840

1159737-89-9

Structural Information

Molecular Formula
C7H8N2O
SMILES
CC(C)C1=NC(=CO1)C#N
InChI
InChI=1S/C7H8N2O/c1-5(2)7-9-6(3-8)4-10-7/h4-5H,1-2H3
InChIKey
XIJGGKXPSAFXHK-UHFFFAOYSA-N
Compound name
2-propan-2-yl-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

136.06366 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.070936 124.4
[M+Na]+ 159.052878 135.0
[M-H]- 135.056384 126.9
[M+NH4]+ 154.097483 143.2
[M+K]+ 175.026818 134.6
[M+H-H2O]+ 119.060920 111.5
[M+HCOO]- 181.061861 143.7
[M+CH3COO]- 195.077511 186.2
[M+Na-2H]- 157.038326 130.1
[M]+ 136.06311142 121.1
[M]- 136.06420858 121.1
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