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]+ 199.08997 142.4
[M+Na]+ 221.07191 149.2
[M-H]- 197.07541 144.8
[M+NH4]+ 216.11651 160.6
[M+K]+ 237.04585 146.1
[M+H-H2O]+ 181.07995 135.3
[M+HCOO]- 243.08089 156.2
[M+CH3COO]- 257.09654 154.0
[M+Na-2H]- 219.05736 143.0
[M]+ 198.08214 139.7
[M]- 198.08324 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.