CID 71328884

Kxv8927hyh

Structural Information

Molecular Formula
C12H20N2S
SMILES
CC1=C(N=C(C(=N1)C)CCCCSC)C
InChI
InChI=1S/C12H20N2S/c1-9-10(2)14-12(11(3)13-9)7-5-6-8-15-4/h5-8H2,1-4H3
InChIKey
KGBPITFLJDEWLV-UHFFFAOYSA-N
Compound name
2,3,5-trimethyl-6-(4-methylsulfanylbutyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.13472 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14200 150.3
[M+Na]+ 247.12394 159.6
[M-H]- 223.12744 151.6
[M+NH4]+ 242.16854 167.6
[M+K]+ 263.09788 155.7
[M+H-H2O]+ 207.13198 143.1
[M+HCOO]- 269.13292 166.0
[M+CH3COO]- 283.14857 193.0
[M+Na-2H]- 245.10939 151.4
[M]+ 224.13417 155.6
[M]- 224.13527 155.6
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.