CID 3085809

Exo-5-isothiocyanotetrahydro-endo-dicylclopentadiene

Structural Information

Molecular Formula
C11H15NS
SMILES
C1C[C@H]2[C@@H](C1)[C@H]3C[C@@H]2C[C@H]3N=C=S
InChI
InChI=1S/C11H15NS/c13-6-12-11-5-7-4-10(11)9-3-1-2-8(7)9/h7-11H,1-5H2/t7-,8-,9-,10-,11-/m1/s1
InChIKey
DTUBMGPOTPNISW-ISUQUUIWSA-N
Compound name
(1R,2R,6R,7R,8R)-8-isothiocyanatotricyclo[5.2.1.02,6]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.09251 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09979 144.9
[M+Na]+ 216.08173 152.1
[M+NH4]+ 211.12633 155.8
[M+K]+ 232.05567 148.3
[M-H]- 192.08523 146.7
[M+Na-2H]- 214.06718 144.8
[M]+ 193.09196 146.6
[M]- 193.09306 146.6
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.