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

12
Patents

136.06366 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.070936 122.4
[M+Na]+ 159.052878 134.1
[M-H]- 135.056384 125.2
[M+NH4]+ 154.097483 141.6
[M+K]+ 175.026818 133.4
[M+H-H2O]+ 119.060920 109.8
[M+HCOO]- 181.061861 142.6
[M+CH3COO]- 195.077511 186.5
[M+Na-2H]- 157.038326 128.8
[M]+ 136.06311142 120.1
[M]- 136.06420858 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