CID 12950376

(1r,2s,6r,7s)-4-(chloromethyl)tricyclo[5.2.1.0,2,6]dec-8-ene

Structural Information

Molecular Formula
C11H15Cl
SMILES
C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2CC(C3)CCl
InChI
InChI=1S/C11H15Cl/c12-6-7-3-10-8-1-2-9(5-8)11(10)4-7/h1-2,7-11H,3-6H2/t7?,8-,9+,10-,11+
InChIKey
CYHCKKWYQUQOOH-RALPEPDASA-N
Compound name
(1R,2S,6R,7S)-4-(chloromethyl)tricyclo[5.2.1.02,6]dec-8-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.08623 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.093506 147.5
[M+Na]+ 205.075448 156.6
[M-H]- 181.078954 151.3
[M+NH4]+ 200.120053 176.2
[M+K]+ 221.049388 151.7
[M+H-H2O]+ 165.083490 144.3
[M+HCOO]- 227.084431 164.0
[M+CH3COO]- 241.100081 161.0
[M+Na-2H]- 203.060896 148.3
[M]+ 182.08568142 148.0
[M]- 182.08677858 148.0
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.