CID 213611

3-cyclohexyl-4-(morpholinomethyl)sydnone

Structural Information

Molecular Formula
C13H22N3O3
SMILES
C1CCC(CC1)[N+]2=C(C(=O)ON2)CN3CCOCC3
InChI
InChI=1S/C13H21N3O3/c17-13-12(10-15-6-8-18-9-7-15)16(14-19-13)11-4-2-1-3-5-11/h11H,1-10H2/p+1
InChIKey
FZBAIJLTQRMQOK-UHFFFAOYSA-O
Compound name
3-cyclohexyl-4-(morpholin-4-ylmethyl)-2H-oxadiazol-3-ium-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1661 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17338 163.9
[M+Na]+ 291.15532 167.3
[M-H]- 267.15882 168.3
[M+NH4]+ 286.19992 173.3
[M+K]+ 307.12926 160.4
[M+H-H2O]+ 251.16336 156.5
[M+HCOO]- 313.16430 175.0
[M+CH3COO]- 327.17995 184.2
[M+Na-2H]- 289.14077 167.5
[M]+ 268.16555 156.1
[M]- 268.16665 156.1
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.