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

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

literature stripe

Patent stripe

patents stripe