CID 21156079

Dtxsid30888156

Structural Information

Molecular Formula
C11H13NS
SMILES
C1C=C[C@@H]2[C@H]1[C@H]3C[C@@H]2C[C@@H]3N=C=S
InChI
InChI=1S/C11H13NS/c13-6-12-11-5-7-4-10(11)9-3-1-2-8(7)9/h1-2,7-11H,3-5H2/t7-,8+,9+,10-,11+/m1/s1
InChIKey
UEIJWCCKGOJKLO-KJPMQGKISA-N
Compound name
(1R,2R,6S,7R,8S)-8-isothiocyanatotricyclo[5.2.1.02,6]dec-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.07687 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.08415 143.5
[M+Na]+ 214.06609 151.6
[M+NH4]+ 209.11069 154.5
[M+K]+ 230.04003 147.6
[M-H]- 190.06959 145.5
[M+Na-2H]- 212.05154 144.2
[M]+ 191.07632 145.4
[M]- 191.07742 145.4
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.