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

442
Patents

254.18167 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.18895 162.0
[M+Na]+ 277.17089 168.8
[M-H]- 253.17439 162.3
[M+NH4]+ 272.21549 179.4
[M+K]+ 293.14483 165.1
[M+H-H2O]+ 237.17893 154.2
[M+HCOO]- 299.17987 178.0
[M+CH3COO]- 313.19552 196.8
[M+Na-2H]- 275.15634 160.9
[M]+ 254.18112 168.2
[M]- 254.18222 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