CID 6437521

Einecs 269-557-7

Structural Information

Molecular Formula
C18H24O
SMILES
C/C=C/C(=O)C1=CC2=C(C=C1C)C(CC2(C)C)(C)C
InChI
InChI=1S/C18H24O/c1-7-8-16(19)13-10-15-14(9-12(13)2)17(3,4)11-18(15,5)6/h7-10H,11H2,1-6H3/b8-7+
InChIKey
VHGRISIIWCHDBX-BQYQJAHWSA-N
Compound name
(E)-1-(1,1,3,3,6-pentamethyl-2H-inden-5-yl)but-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

256.1827 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.189976 158.0
[M+Na]+ 279.171918 168.1
[M-H]- 255.175424 163.3
[M+NH4]+ 274.216523 183.0
[M+K]+ 295.145858 163.6
[M+H-H2O]+ 239.179960 154.3
[M+HCOO]- 301.180901 178.5
[M+CH3COO]- 315.196551 200.5
[M+Na-2H]- 277.157366 160.1
[M]+ 256.18215142 160.8
[M]- 256.18324858 160.8
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.