CID 22733313

1-methanesulfonylpiperidine-4-carbonitrile

Structural Information

Molecular Formula
C7H12N2O2S
SMILES
CS(=O)(=O)N1CCC(CC1)C#N
InChI
InChI=1S/C7H12N2O2S/c1-12(10,11)9-4-2-7(6-8)3-5-9/h7H,2-5H2,1H3
InChIKey
LZPNPUNUFAYEIE-UHFFFAOYSA-N
Compound name
1-methylsulfonylpiperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

188.06195 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06923 142.2
[M+Na]+ 211.05117 151.3
[M-H]- 187.05467 144.7
[M+NH4]+ 206.09577 159.3
[M+K]+ 227.02511 149.5
[M+H-H2O]+ 171.05921 130.2
[M+HCOO]- 233.06015 153.1
[M+CH3COO]- 247.07580 190.5
[M+Na-2H]- 209.03662 145.1
[M]+ 188.06140 136.4
[M]- 188.06250 136.4
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