CID 56773894

2-methanesulfonylpyridine-3-carbaldehyde

Structural Information

Molecular Formula
C7H7NO3S
SMILES
CS(=O)(=O)C1=C(C=CC=N1)C=O
InChI
InChI=1S/C7H7NO3S/c1-12(10,11)7-6(5-9)3-2-4-8-7/h2-5H,1H3
InChIKey
KVLNNEJGGWIDKO-UHFFFAOYSA-N
Compound name
2-methylsulfonylpyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

185.01466 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.021936 134.1
[M+Na]+ 208.003878 144.5
[M-H]- 184.007384 137.4
[M+NH4]+ 203.048483 153.3
[M+K]+ 223.977818 142.0
[M+H-H2O]+ 168.011920 128.4
[M+HCOO]- 230.012861 152.5
[M+CH3COO]- 244.028511 176.7
[M+Na-2H]- 205.989326 140.0
[M]+ 185.01411142 138.0
[M]- 185.01520858 138.0
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