CID 1714210

(1r)-(-)-thiocamphor

Structural Information

Molecular Formula
C10H16S
SMILES
C[C@@]12CC[C@@H](C1(C)C)CC2=S
InChI
InChI=1S/C10H16S/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1
InChIKey
AAADKYXUTOBAGS-XCBNKYQSSA-N
Compound name
(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

134
Patents

168.09727 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.10455 136.4
[M+Na]+ 191.08649 146.5
[M-H]- 167.08999 140.1
[M+NH4]+ 186.13109 167.2
[M+K]+ 207.06043 143.7
[M+H-H2O]+ 151.09453 134.6
[M+HCOO]- 213.09547 152.5
[M+CH3COO]- 227.11112 179.2
[M+Na-2H]- 189.07194 138.9
[M]+ 168.09672 138.2
[M]- 168.09782 138.2
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