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]+ 171.12020 134.4
[M+Na]+ 193.10214 142.1
[M-H]- 169.10564 138.3
[M+NH4]+ 188.14674 158.0
[M+K]+ 209.07608 140.0
[M+H-H2O]+ 153.11018 130.1
[M+HCOO]- 215.11112 150.4
[M+CH3COO]- 229.12677 180.9
[M+Na-2H]- 191.08759 136.9
[M]+ 170.11237 135.1
[M]- 170.11347 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.