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]+ 186.02194 134.1
[M+Na]+ 208.00388 144.5
[M-H]- 184.00738 137.4
[M+NH4]+ 203.04848 153.3
[M+K]+ 223.97782 142.0
[M+H-H2O]+ 168.01192 128.4
[M+HCOO]- 230.01286 152.5
[M+CH3COO]- 244.02851 176.7
[M+Na-2H]- 205.98933 140.0
[M]+ 185.01411 138.0
[M]- 185.01521 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