CID 71310952

11-(1h-imidazol-1-yl)undecane-1-thiol

Structural Information

Molecular Formula
C14H26N2S
SMILES
C1=CN(C=N1)CCCCCCCCCCCS
InChI
InChI=1S/C14H26N2S/c17-13-9-7-5-3-1-2-4-6-8-11-16-12-10-15-14-16/h10,12,14,17H,1-9,11,13H2
InChIKey
QBAITUUPZOBZFD-UHFFFAOYSA-N
Compound name
11-imidazol-1-ylundecane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

254.18167 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.18895 162.1
[M+Na]+ 277.17089 168.0
[M-H]- 253.17439 162.0
[M+NH4]+ 272.21549 179.2
[M+K]+ 293.14483 164.3
[M+H-H2O]+ 237.17893 154.0
[M+HCOO]- 299.17987 178.1
[M+CH3COO]- 313.19552 195.7
[M+Na-2H]- 275.15634 161.7
[M]+ 254.18112 167.9
[M]- 254.18222 167.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe