CID 137218229

Schembl21729231

Structural Information

Molecular Formula
C9H14N2O2
SMILES
C1CCC(CC1)CC2=NOC(=O)N2
InChI
InChI=1S/C9H14N2O2/c12-9-10-8(11-13-9)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,10,11,12)
InChIKey
RMHLGNBFOWOIFE-UHFFFAOYSA-N
Compound name
3-(cyclohexylmethyl)-4H-1,2,4-oxadiazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

182.10553 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.112806 138.5
[M+Na]+ 205.094748 144.8
[M-H]- 181.098254 141.2
[M+NH4]+ 200.139353 155.1
[M+K]+ 221.068688 143.2
[M+H-H2O]+ 165.102790 130.8
[M+HCOO]- 227.103731 156.5
[M+CH3COO]- 241.119381 175.1
[M+Na-2H]- 203.080196 143.0
[M]+ 182.10498142 134.5
[M]- 182.10607858 134.5
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