CID 209849

Sydnone, 3-cyclohexyl-

Structural Information

Molecular Formula
C8H13N2O2
SMILES
C1CCC(CC1)[N+]2=CC(=O)ON2
InChI
InChI=1S/C8H12N2O2/c11-8-6-10(9-12-8)7-4-2-1-3-5-7/h6-7H,1-5H2/p+1
InChIKey
LBWGAPRXZZUQPR-UHFFFAOYSA-O
Compound name
3-cyclohexyl-2H-oxadiazol-3-ium-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

169.0977 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.10498 134.9
[M+Na]+ 192.08692 141.5
[M-H]- 168.09042 138.1
[M+NH4]+ 187.13152 151.7
[M+K]+ 208.06086 134.8
[M+H-H2O]+ 152.09496 130.1
[M+HCOO]- 214.09590 152.9
[M+CH3COO]- 228.11155 165.4
[M+Na-2H]- 190.07237 142.4
[M]+ 169.09715 129.3
[M]- 169.09825 129.3
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