CID 91621058

(1-sulfanylcyclohexyl)methanol

Structural Information

Molecular Formula
C7H14OS
SMILES
C1CCC(CC1)(CO)S
InChI
InChI=1S/C7H14OS/c8-6-7(9)4-2-1-3-5-7/h8-9H,1-6H2
InChIKey
IVIKKGRVMUVRMQ-UHFFFAOYSA-N
Compound name
(1-sulfanylcyclohexyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

146.07654 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08382 130.0
[M+Na]+ 169.06576 135.6
[M-H]- 145.06926 131.8
[M+NH4]+ 164.11036 153.0
[M+K]+ 185.03970 134.0
[M+H-H2O]+ 129.07380 125.8
[M+HCOO]- 191.07474 144.3
[M+CH3COO]- 205.09039 169.2
[M+Na-2H]- 167.05121 133.8
[M]+ 146.07599 127.1
[M]- 146.07709 127.1
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