CID 21156049

71820-48-9

Structural Information

Molecular Formula
C10H18S
SMILES
CC1=CCCC(C1CS)(C)C
InChI
InChI=1S/C10H18S/c1-8-5-4-6-10(2,3)9(8)7-11/h5,9,11H,4,6-7H2,1-3H3
InChIKey
AVZCLGHLTWUBHI-UHFFFAOYSA-N
Compound name
(2,6,6-trimethylcyclohex-2-en-1-yl)methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.11292 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.120196 134.4
[M+Na]+ 193.102138 142.1
[M-H]- 169.105644 138.3
[M+NH4]+ 188.146743 158.0
[M+K]+ 209.076078 140.0
[M+H-H2O]+ 153.110180 130.1
[M+HCOO]- 215.111121 150.4
[M+CH3COO]- 229.126771 180.9
[M+Na-2H]- 191.087586 136.9
[M]+ 170.11237142 135.1
[M]- 170.11346858 135.1
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.