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 153.5
[M+Na]+ 247.12394 167.0
[M+NH4]+ 242.16854 161.9
[M+K]+ 263.09788 157.1
[M-H]- 223.12744 155.5
[M+Na-2H]- 245.10939 158.8
[M]+ 224.13417 156.6
[M]- 224.13527 156.6
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.