CID 16095898

(4-chloro-3-methyl-2-pyridinyl)methyl methanesulfonate methanesulfonate

Structural Information

Molecular Formula
C8H10ClNO3S
SMILES
CC1=C(C=CN=C1COS(=O)(=O)C)Cl
InChI
InChI=1S/C8H10ClNO3S/c1-6-7(9)3-4-10-8(6)5-13-14(2,11)12/h3-4H,5H2,1-2H3
InChIKey
NXWITMUBWUZMKI-UHFFFAOYSA-N
Compound name
(4-chloro-3-methylpyridin-2-yl)methyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.00699 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.01427 144.1
[M+Na]+ 257.99621 155.1
[M-H]- 233.99971 147.5
[M+NH4]+ 253.04081 162.5
[M+K]+ 273.97015 151.4
[M+H-H2O]+ 218.00425 139.1
[M+HCOO]- 280.00519 157.4
[M+CH3COO]- 294.02084 185.6
[M+Na-2H]- 255.98166 148.5
[M]+ 235.00644 151.2
[M]- 235.00754 151.2
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.