CID 46318392

1217862-28-6

Structural Information

Molecular Formula
C7H8N2O
SMILES
CC(C)C1=NOC(=C1)C#N
InChI
InChI=1S/C7H8N2O/c1-5(2)7-3-6(4-8)10-9-7/h3,5H,1-2H3
InChIKey
CFWJELPCJZDRRO-UHFFFAOYSA-N
Compound name
3-propan-2-yl-1,2-oxazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

136.06366 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 124.4
[M+Na]+ 159.05288 135.0
[M-H]- 135.05638 126.9
[M+NH4]+ 154.09748 143.2
[M+K]+ 175.02682 134.6
[M+H-H2O]+ 119.06092 111.5
[M+HCOO]- 181.06186 143.7
[M+CH3COO]- 195.07751 186.2
[M+Na-2H]- 157.03833 130.1
[M]+ 136.06311 121.1
[M]- 136.06421 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