CID 82074664

2-(5-cyclopropylisoxazol-3-yl)acetonitrile

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1CC1C2=CC(=NO2)CC#N
InChI
InChI=1S/C8H8N2O/c9-4-3-7-5-8(11-10-7)6-1-2-6/h5-6H,1-3H2
InChIKey
ITZAIDIQTXXFDJ-UHFFFAOYSA-N
Compound name
2-(5-cyclopropyl-1,2-oxazol-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

148.06366 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 125.1
[M+Na]+ 171.05288 141.5
[M-H]- 147.05638 132.6
[M+NH4]+ 166.09748 140.8
[M+K]+ 187.02682 136.4
[M+H-H2O]+ 131.06092 114.1
[M+HCOO]- 193.06186 146.9
[M+CH3COO]- 207.07751 189.9
[M+Na-2H]- 169.03833 133.4
[M]+ 148.06311 125.6
[M]- 148.06421 125.6
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