CID 102537409

(5-cyclohexyl-1,3,4-thiadiazol-2-yl)methanol

Structural Information

Molecular Formula
C9H14N2OS
SMILES
C1CCC(CC1)C2=NN=C(S2)CO
InChI
InChI=1S/C9H14N2OS/c12-6-8-10-11-9(13-8)7-4-2-1-3-5-7/h7,12H,1-6H2
InChIKey
AYGLJMOOUFCNSZ-UHFFFAOYSA-N
Compound name
(5-cyclohexyl-1,3,4-thiadiazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.08269 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.089966 142.4
[M+Na]+ 221.071908 149.2
[M-H]- 197.075414 144.8
[M+NH4]+ 216.116513 160.6
[M+K]+ 237.045848 146.1
[M+H-H2O]+ 181.079950 135.3
[M+HCOO]- 243.080891 156.2
[M+CH3COO]- 257.096541 154.0
[M+Na-2H]- 219.057356 143.0
[M]+ 198.08214142 139.7
[M]- 198.08323858 139.7
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.