CID 57483109

Decyl mercaptomethylimidazole

Structural Information

Molecular Formula
C14H26N2S
SMILES
CCCCCCCCCCC1=NC=CN1CS
InChI
InChI=1S/C14H26N2S/c1-2-3-4-5-6-7-8-9-10-14-15-11-12-16(14)13-17/h11-12,17H,2-10,13H2,1H3
InChIKey
XGKWKOSQACXOGE-UHFFFAOYSA-N
Compound name
(2-decylimidazol-1-yl)methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

258
Patents

254.18167 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.188946 162.0
[M+Na]+ 277.170888 168.8
[M-H]- 253.174394 162.3
[M+NH4]+ 272.215493 179.4
[M+K]+ 293.144828 165.1
[M+H-H2O]+ 237.178930 154.2
[M+HCOO]- 299.179871 178.0
[M+CH3COO]- 313.195521 196.8
[M+Na-2H]- 275.156336 160.9
[M]+ 254.18112142 168.2
[M]- 254.18221858 168.2
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

patents stripe