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]+ 225.141996 150.3
[M+Na]+ 247.123938 159.6
[M-H]- 223.127444 151.6
[M+NH4]+ 242.168543 167.6
[M+K]+ 263.097878 155.7
[M+H-H2O]+ 207.131980 143.1
[M+HCOO]- 269.132921 166.0
[M+CH3COO]- 283.148571 193.0
[M+Na-2H]- 245.109386 151.4
[M]+ 224.13417142 155.6
[M]- 224.13526858 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.