CID 14108776

(6r)-10-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-one

Structural Information

Molecular Formula
C15H21ClO
SMILES
CC1=C(C[C@@]2(CC1)C(=CC(=O)CC2(C)C)C)Cl
InChI
InChI=1S/C15H21ClO/c1-10-5-6-15(9-13(10)16)11(2)7-12(17)8-14(15,3)4/h7H,5-6,8-9H2,1-4H3/t15-/m0/s1
InChIKey
OEZOQISFVZCWKU-HNNXBMFYSA-N
Compound name
(6R)-10-chloro-1,5,5,9-tetramethylspiro[5.5]undeca-1,9-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.1281 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13538 153.1
[M+Na]+ 275.11732 162.7
[M-H]- 251.12082 159.2
[M+NH4]+ 270.16192 176.4
[M+K]+ 291.09126 157.9
[M+H-H2O]+ 235.12536 149.1
[M+HCOO]- 297.12630 167.4
[M+CH3COO]- 311.14195 195.5
[M+Na-2H]- 273.10277 156.7
[M]+ 252.12755 152.6
[M]- 252.12865 152.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.