CID 10725961

3-benzyl-5-methyl-4,5-dihydro-1,2,4-oxadiazole

Structural Information

Molecular Formula
C10H12N2O
SMILES
CC1N=C(NO1)CC2=CC=CC=C2
InChI
InChI=1S/C10H12N2O/c1-8-11-10(12-13-8)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)
InChIKey
XOVDKWYUYAJVRS-UHFFFAOYSA-N
Compound name
3-benzyl-5-methyl-2,5-dihydro-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.09496 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 137.0
[M+Na]+ 199.08418 144.9
[M-H]- 175.08768 140.2
[M+NH4]+ 194.12878 154.1
[M+K]+ 215.05812 142.7
[M+H-H2O]+ 159.09222 129.3
[M+HCOO]- 221.09316 157.2
[M+CH3COO]- 235.10881 149.8
[M+Na-2H]- 197.06963 143.1
[M]+ 176.09441 135.6
[M]- 176.09551 135.6
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.