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]+ 152.08183 126.3
[M+Na]+ 174.06377 136.4
[M-H]- 150.06727 127.1
[M+NH4]+ 169.10837 143.1
[M+K]+ 190.03771 136.4
[M+H-H2O]+ 134.07181 112.1
[M+HCOO]- 196.07275 144.2
[M+CH3COO]- 210.08840 188.7
[M+Na-2H]- 172.04922 131.9
[M]+ 151.07400 123.3
[M]- 151.07510 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