CID 139595353

Ns00004269

Structural Information

Molecular Formula
C17H28O2
SMILES
CC(=O)C1(CC2=C(C(C1(C)C)O)C(CCC2)(C)C)C
InChI
InChI=1S/C17H28O2/c1-11(18)17(6)10-12-8-7-9-15(2,3)13(12)14(19)16(17,4)5/h14,19H,7-10H2,1-6H3
InChIKey
HZGCWRUEARDBDW-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-2,3,3,5,5-pentamethyl-4,6,7,8-tetrahydro-1H-naphthalen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.20892 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.216196 159.6
[M+Na]+ 287.198138 167.2
[M-H]- 263.201644 162.7
[M+NH4]+ 282.242743 183.3
[M+K]+ 303.172078 164.5
[M+H-H2O]+ 247.206180 156.2
[M+HCOO]- 309.207121 173.5
[M+CH3COO]- 323.222771 199.7
[M+Na-2H]- 285.183586 162.5
[M]+ 264.20837142 157.9
[M]- 264.20946858 157.9
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.