CID 9588802

145071-39-2

Structural Information

Molecular Formula
C11H18N2O5S
SMILES
CO/N=C/C1=CCCN(C1)C(=O)OCCS(=O)(=O)C
InChI
InChI=1S/C11H18N2O5S/c1-17-12-8-10-4-3-5-13(9-10)11(14)18-6-7-19(2,15)16/h4,8H,3,5-7,9H2,1-2H3/b12-8+
InChIKey
FEEHXZVTPKDWCI-XYOKQWHBSA-N
Compound name
2-methylsulfonylethyl 5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.09363 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.10091 163.4
[M+Na]+ 313.08285 169.1
[M-H]- 289.08635 166.3
[M+NH4]+ 308.12745 178.2
[M+K]+ 329.05679 167.9
[M+H-H2O]+ 273.09089 156.0
[M+HCOO]- 335.09183 179.6
[M+CH3COO]- 349.10748 199.3
[M+Na-2H]- 311.06830 166.0
[M]+ 290.09308 168.3
[M]- 290.09418 168.3
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

No patent data available for this compound.