CID 207392

N-acetyl-3-cyclohexylsydnone imine hydrochloride

Structural Information

Molecular Formula
C10H16N3O2
SMILES
CC(=O)NC1=C[N+](=NO1)C2CCCCC2
InChI
InChI=1S/C10H15N3O2/c1-8(14)11-10-7-13(12-15-10)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3/p+1
InChIKey
IYGGSYLXFDKOFN-UHFFFAOYSA-O
Compound name
N-(3-cyclohexyloxadiazol-3-ium-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

210.12425 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.13153 146.9
[M+Na]+ 233.11347 151.9
[M-H]- 209.11697 151.2
[M+NH4]+ 228.15807 162.4
[M+K]+ 249.08741 145.9
[M+H-H2O]+ 193.12151 141.2
[M+HCOO]- 255.12245 165.8
[M+CH3COO]- 269.13810 178.8
[M+Na-2H]- 231.09892 153.3
[M]+ 210.12370 142.4
[M]- 210.12480 142.4
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