CID 3052397

Sydnone imine, n-acetyl-3-cyclohexyl-4-methyl-, monohydrochloride

Structural Information

Molecular Formula
C11H18N3O2
SMILES
CC1=C(ON=[N+]1C2CCCCC2)NC(=O)C
InChI
InChI=1S/C11H17N3O2/c1-8-11(12-9(2)15)16-13-14(8)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3/p+1
InChIKey
VCJUYMNGLITNJR-UHFFFAOYSA-O
Compound name
N-(3-cyclohexyl-4-methyloxadiazol-3-ium-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

224.13991 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14719 151.6
[M+Na]+ 247.12913 157.2
[M-H]- 223.13263 156.2
[M+NH4]+ 242.17373 166.9
[M+K]+ 263.10307 150.9
[M+H-H2O]+ 207.13717 146.1
[M+HCOO]- 269.13811 170.3
[M+CH3COO]- 283.15376 183.0
[M+Na-2H]- 245.11458 156.9
[M]+ 224.13936 147.9
[M]- 224.14046 147.9
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