CID 54587862

1239752-36-3

Structural Information

Molecular Formula
C7H9N3O
SMILES
CC(C)C1=NOC(=N1)CC#N
InChI
InChI=1S/C7H9N3O/c1-5(2)7-9-6(3-4-8)11-10-7/h5H,3H2,1-2H3
InChIKey
JKJZMCOXMVPFPP-UHFFFAOYSA-N
Compound name
2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

151.07455 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.081826 126.3
[M+Na]+ 174.063768 136.4
[M-H]- 150.067274 127.1
[M+NH4]+ 169.108373 143.1
[M+K]+ 190.037708 136.4
[M+H-H2O]+ 134.071810 112.1
[M+HCOO]- 196.072751 144.2
[M+CH3COO]- 210.088401 188.7
[M+Na-2H]- 172.049216 131.9
[M]+ 151.07400142 123.3
[M]- 151.07509858 123.3
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