CID 108243

54464-59-4

Structural Information

Molecular Formula
C16H26O
SMILES
CC1CC2=C(CCCC2(C)C)CC1(C)C(=O)C
InChI
InChI=1S/C16H26O/c1-11-9-14-13(7-6-8-15(14,3)4)10-16(11,5)12(2)17/h11H,6-10H2,1-5H3
InChIKey
LCZYWDBISQLZSE-UHFFFAOYSA-N
Compound name
1-(2,3,5,5-tetramethyl-1,3,4,6,7,8-hexahydronaphthalen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

20
Patents

234.19836 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.205636 154.8
[M+Na]+ 257.187578 161.3
[M-H]- 233.191084 158.8
[M+NH4]+ 252.232183 178.2
[M+K]+ 273.161518 158.7
[M+H-H2O]+ 217.195620 150.1
[M+HCOO]- 279.196561 170.4
[M+CH3COO]- 293.212211 196.0
[M+Na-2H]- 255.173026 157.6
[M]+ 234.19781142 152.1
[M]- 234.19890858 152.1
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

patents stripe