CID 13792858

2-(dimethyl-1,2-oxazol-4-yl)acetonitrile

Structural Information

Molecular Formula
C7H8N2O
SMILES
CC1=C(C(=NO1)C)CC#N
InChI
InChI=1S/C7H8N2O/c1-5-7(3-4-8)6(2)10-9-5/h3H2,1-2H3
InChIKey
UMCQYZGFGHGVTG-UHFFFAOYSA-N
Compound name
2-(3,5-dimethyl-1,2-oxazol-4-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

136.06366 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 122.4
[M+Na]+ 159.05288 134.1
[M-H]- 135.05638 125.2
[M+NH4]+ 154.09748 141.6
[M+K]+ 175.02682 133.4
[M+H-H2O]+ 119.06092 109.8
[M+HCOO]- 181.06186 142.6
[M+CH3COO]- 195.07751 186.5
[M+Na-2H]- 157.03833 128.8
[M]+ 136.06311 120.1
[M]- 136.06421 120.1
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