CID 22850931

(1s,2s,5s)-2-(2-chloroethyl)-6,6-dimethylbicyclo[3.1.1]heptane

Structural Information

Molecular Formula
C11H19Cl
SMILES
CC1([C@H]2CC[C@H]([C@@H]1C2)CCCl)C
InChI
InChI=1S/C11H19Cl/c1-11(2)9-4-3-8(5-6-12)10(11)7-9/h8-10H,3-7H2,1-2H3/t8-,9-,10-/m0/s1
InChIKey
ZSBWEFPMRFAUFW-GUBZILKMSA-N
Compound name
(1S,2S,5S)-2-(2-chloroethyl)-6,6-dimethylbicyclo[3.1.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

186.11752 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12480 133.9
[M+Na]+ 209.10674 141.6
[M+NH4]+ 204.15134 143.3
[M+K]+ 225.08068 133.5
[M-H]- 185.11024 131.3
[M+Na-2H]- 207.09219 133.2
[M]+ 186.11697 133.6
[M]- 186.11807 133.6
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

patents stripe