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

3764
Patents

224.04419 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.051466 142.9
[M+Na]+ 247.033408 156.3
[M-H]- 223.036914 146.2
[M+NH4]+ 242.078013 163.6
[M+K]+ 263.007348 151.2
[M+H-H2O]+ 207.041450 137.6
[M+HCOO]- 269.042391 156.2
[M+CH3COO]- 283.058041 156.8
[M+Na-2H]- 245.018856 144.5
[M]+ 224.04364142 149.9
[M]- 224.04473858 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