CID 14590472

(5-methyl-1,2,4-oxadiazol-3-yl)acetonitrile

Structural Information

Molecular Formula
C5H5N3O
SMILES
CC1=NC(=NO1)CC#N
InChI
InChI=1S/C5H5N3O/c1-4-7-5(2-3-6)8-9-4/h2H2,1H3
InChIKey
WHRPQCILPFDUQL-UHFFFAOYSA-N
Compound name
2-(5-methyl-1,2,4-oxadiazol-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

123.04326 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.05054 123.6
[M+Na]+ 146.03248 135.3
[M+NH4]+ 141.07708 127.9
[M+K]+ 162.00642 129.0
[M-H]- 122.03598 117.6
[M+Na-2H]- 144.01793 126.7
[M]+ 123.04271 122.6
[M]- 123.04381 122.6
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