CID 68132

497-98-3

Structural Information

Molecular Formula

C₇H₁₀N₂O₂S

SMILES

CCOC(=O)SC1=NC=CN1C

InChI

InChI=1S/C7H10N2O2S/c1-3-11-7(10)12-6-8-4-5-9(6)2/h4-5H,3H2,1-2H3

InChIKey

IMXYRSSHUQHQBH-UHFFFAOYSA-N

Compound name

ethyl (1-methylimidazol-2-yl)sulfanylformate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 186.0463 Da
Monoisotopic Mass: 1.4
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]+	187.053576	138.2
[M+Na]+	209.035518	147.9
[M-H]-	185.039024	140.0
[M+NH4]+	204.080123	158.2
[M+K]+	225.009458	146.7
[M+H-H2O]+	169.043560	131.8
[M+HCOO]-	231.044501	156.1
[M+CH3COO]-	245.060151	178.4
[M+Na-2H]-	207.020966	139.6
[M]+	186.04575142	143.2
[M]-	186.04684858	143.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.