CID 128585

84201-40-1

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

3736
Patents

224.04419 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.05147 142.9
[M+Na]+ 247.03341 156.3
[M-H]- 223.03691 146.2
[M+NH4]+ 242.07801 163.6
[M+K]+ 263.00735 151.2
[M+H-H2O]+ 207.04145 137.6
[M+HCOO]- 269.04239 156.2
[M+CH3COO]- 283.05804 156.8
[M+Na-2H]- 245.01886 144.5
[M]+ 224.04364 149.9
[M]- 224.04474 149.9
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.