CID 14191392

Dehydrocurdione

Structural Information

Molecular Formula
C15H22O2
SMILES
CC1CC/C=C(\CC(=O)C(=C(C)C)CC1=O)/C
InChI
InChI=1S/C15H22O2/c1-10(2)13-9-14(16)12(4)7-5-6-11(3)8-15(13)17/h6,12H,5,7-9H2,1-4H3/b11-6-
InChIKey
ZYPUZCWWTYIGFV-WDZFZDKYSA-N
Compound name
(6Z)-6,10-dimethyl-3-propan-2-ylidenecyclodec-6-ene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

0
Patents

234.16199 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 150.4
[M+Na]+ 257.15121 157.2
[M-H]- 233.15471 151.6
[M+NH4]+ 252.19581 166.6
[M+K]+ 273.12515 155.3
[M+H-H2O]+ 217.15925 148.5
[M+HCOO]- 279.16019 168.5
[M+CH3COO]- 293.17584 190.7
[M+Na-2H]- 255.13666 148.9
[M]+ 234.16144 145.6
[M]- 234.16254 145.6
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.