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]+ 171.12020 138.7
[M+Na]+ 193.10214 147.8
[M+NH4]+ 188.14674 152.4
[M+K]+ 209.07608 139.1
[M-H]- 169.10564 140.1
[M+Na-2H]- 191.08759 143.1
[M]+ 170.11237 141.2
[M]- 170.11347 141.2
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.