CID 3024268

94279-28-4

Structural Information

Molecular Formula
C10H10N2S
SMILES
CC1=NC=CN=C1CC2=CC=CS2
InChI
InChI=1S/C10H10N2S/c1-8-10(12-5-4-11-8)7-9-3-2-6-13-9/h2-6H,7H2,1H3
InChIKey
TUHNNOHMTDQQLQ-UHFFFAOYSA-N
Compound name
2-methyl-3-(thiophen-2-ylmethyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.05647 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.063746 138.1
[M+Na]+ 213.045688 148.5
[M-H]- 189.049194 143.1
[M+NH4]+ 208.090293 157.9
[M+K]+ 229.019628 144.8
[M+H-H2O]+ 173.053730 130.9
[M+HCOO]- 235.054671 157.3
[M+CH3COO]- 249.070321 152.0
[M+Na-2H]- 211.031136 141.6
[M]+ 190.05592142 140.5
[M]- 190.05701858 140.5
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.