CID 16095896

368890-13-5

Structural Information

Molecular Formula

C₈H₁₀N₂O₅S

SMILES

CC1=C(C=CN=C1COS(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C8H10N2O5S/c1-6-7(5-15-16(2,13)14)9-4-3-8(6)10(11)12/h3-4H,5H2,1-2H3

InChIKey

IGPOLZBYLRRFEU-UHFFFAOYSA-N

Compound name

(3-methyl-4-nitropyridin-2-yl)methyl methanesulfonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 246.03104 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	247.03832	147.4
[M+Na]+	269.02026	159.1
[M+NH4]+	264.06486	153.4
[M+K]+	284.99420	156.2
[M-H]-	245.02376	147.9
[M+Na-2H]-	267.00571	151.9
[M]+	246.03049	149.4
[M]-	246.03159	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe