CID 164511676

7-inden-1-ylidene-2,6-dimethylheptan-2-ol

Structural Information

Molecular Formula
C18H24O
SMILES
CC(CCCC(C)(C)O)C=C1C=CC2=CC=CC=C21
InChI
InChI=1S/C18H24O/c1-14(7-6-12-18(2,3)19)13-16-11-10-15-8-4-5-9-17(15)16/h4-5,8-11,13-14,19H,6-7,12H2,1-3H3
InChIKey
NJRXMCZKCMFMFF-UHFFFAOYSA-N
Compound name
7-inden-1-ylidene-2,6-dimethylheptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1827 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.189976 165.8
[M+Na]+ 279.171918 171.8
[M-H]- 255.175424 168.4
[M+NH4]+ 274.216523 185.3
[M+K]+ 295.145858 166.9
[M+H-H2O]+ 239.179960 160.4
[M+HCOO]- 301.180901 184.3
[M+CH3COO]- 315.196551 196.0
[M+Na-2H]- 277.157366 168.2
[M]+ 256.18215142 166.5
[M]- 256.18324858 166.5
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.