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-methyl-2-pyridinyl)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]+ 236.014266 144.1
[M+Na]+ 257.996208 155.1
[M-H]- 233.999714 147.5
[M+NH4]+ 253.040813 162.5
[M+K]+ 273.970148 151.4
[M+H-H2O]+ 218.004250 139.1
[M+HCOO]- 280.005191 157.4
[M+CH3COO]- 294.020841 185.6
[M+Na-2H]- 255.981656 148.5
[M]+ 235.00644142 151.2
[M]- 235.00753858 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.