CID 3020673

85392-43-4

Structural Information

Molecular Formula
C15H22O2
SMILES
CC1=CCC(C1(C)C)CC=C(C(=O)C)C(=O)C
InChI
InChI=1S/C15H22O2/c1-10-6-7-13(15(10,4)5)8-9-14(11(2)16)12(3)17/h6,9,13H,7-8H2,1-5H3
InChIKey
OKUGEEUWTIUDSY-UHFFFAOYSA-N
Compound name
3-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethylidene]pentane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 235.169266 154.9
[M+Na]+ 257.151208 161.7
[M-H]- 233.154714 158.5
[M+NH4]+ 252.195813 176.9
[M+K]+ 273.125148 159.5
[M+H-H2O]+ 217.159250 150.9
[M+HCOO]- 279.160191 174.8
[M+CH3COO]- 293.175841 195.0
[M+Na-2H]- 255.136656 153.3
[M]+ 234.16144142 156.2
[M]- 234.16253858 156.2
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.