CID 14590472

923130-89-6

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

18
Patents

123.04326 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.050536 116.7
[M+Na]+ 146.032478 127.8
[M-H]- 122.035984 117.6
[M+NH4]+ 141.077083 134.6
[M+K]+ 162.006418 127.9
[M+H-H2O]+ 106.040520 102.8
[M+HCOO]- 168.041461 136.1
[M+CH3COO]- 182.057111 182.5
[M+Na-2H]- 144.017926 124.4
[M]+ 123.04271142 113.7
[M]- 123.04380858 113.7
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