CID 2463139

851208-00-9

Structural Information

Molecular Formula
C11H9N3O
SMILES
CC1=CC=CC=C1C2=NOC(=N2)CC#N
InChI
InChI=1S/C11H9N3O/c1-8-4-2-3-5-9(8)11-13-10(6-7-12)15-14-11/h2-5H,6H2,1H3
InChIKey
IVZIPKXZASMDLS-UHFFFAOYSA-N
Compound name
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.07455 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.08183 139.8
[M+Na]+ 222.06377 151.1
[M-H]- 198.06727 143.0
[M+NH4]+ 217.10837 154.7
[M+K]+ 238.03771 147.9
[M+H-H2O]+ 182.07181 124.6
[M+HCOO]- 244.07275 158.6
[M+CH3COO]- 258.08840 151.7
[M+Na-2H]- 220.04922 145.5
[M]+ 199.07400 136.6
[M]- 199.07510 136.6
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

No patent data available for this compound.