CID 3057446

2-norbornanethiol, 2,5,5-trimethyl-

Structural Information

Molecular Formula
C10H18S
SMILES
CC1(CC2CC1CC2(C)S)C
InChI
InChI=1S/C10H18S/c1-9(2)5-8-4-7(9)6-10(8,3)11/h7-8,11H,4-6H2,1-3H3
InChIKey
VORVDSFOIIOPDD-UHFFFAOYSA-N
Compound name
2,5,5-trimethylbicyclo[2.2.1]heptane-2-thiol
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 137.3
[M+Na]+ 193.102138 147.1
[M-H]- 169.105644 140.9
[M+NH4]+ 188.146743 168.1
[M+K]+ 209.076078 144.9
[M+H-H2O]+ 153.110180 135.3
[M+HCOO]- 215.111121 153.1
[M+CH3COO]- 229.126771 180.1
[M+Na-2H]- 191.087586 139.7
[M]+ 170.11237142 139.7
[M]- 170.11346858 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.