CID 63845738

1-methanesulfonylpiperidine-3-carbaldehyde

Structural Information

Molecular Formula
C7H13NO3S
SMILES
CS(=O)(=O)N1CCCC(C1)C=O
InChI
InChI=1S/C7H13NO3S/c1-12(10,11)8-4-2-3-7(5-8)6-9/h6-7H,2-5H2,1H3
InChIKey
JARYIIOEQZHVQU-UHFFFAOYSA-N
Compound name
1-methylsulfonylpiperidine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

191.06161 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.068886 138.7
[M+Na]+ 214.050828 145.8
[M-H]- 190.054334 140.7
[M+NH4]+ 209.095433 157.3
[M+K]+ 230.024768 144.1
[M+H-H2O]+ 174.058870 133.0
[M+HCOO]- 236.059811 152.7
[M+CH3COO]- 250.075461 177.9
[M+Na-2H]- 212.036276 141.8
[M]+ 191.06106142 138.4
[M]- 191.06215858 138.4
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