CID 128585

Mbmtpp

Structural Information

Molecular Formula

C₁₀H₁₂N₂S₂

SMILES

CC1=C(N2C=CN=CC2=C1SC)SC

InChI

InChI=1S/C10H12N2S2/c1-7-9(13-2)8-6-11-4-5-12(8)10(7)14-3/h4-6H,1-3H3

InChIKey

MYLBTCQBKAKUTJ-UHFFFAOYSA-N

Compound name

7-methyl-6,8-bis(methylsulfanyl)pyrrolo[1,2-a]pyrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 3525
Patents: 224.04419 Da
Monoisotopic Mass: 3.1
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]+	225.05147	146.8
[M+Na]+	247.03341	160.8
[M+NH4]+	242.07801	156.7
[M+K]+	263.00735	151.0
[M-H]-	223.03691	149.5
[M+Na-2H]-	245.01886	151.9
[M]+	224.04364	150.7
[M]-	224.04474	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe