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
(1S,2R,6S,7R)-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]+ 183.09351 147.5
[M+Na]+ 205.07545 156.6
[M-H]- 181.07895 151.3
[M+NH4]+ 200.12005 176.2
[M+K]+ 221.04939 151.7
[M+H-H2O]+ 165.08349 144.3
[M+HCOO]- 227.08443 164.0
[M+CH3COO]- 241.10008 161.0
[M+Na-2H]- 203.06090 148.3
[M]+ 182.08568 148.0
[M]- 182.08678 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.