CID 109193

68155-66-8

Structural Information

Molecular Formula
C16H26O
SMILES
CC1C=C2CCCC(C2CC1(C)C(=O)C)(C)C
InChI
InChI=1S/C16H26O/c1-11-9-13-7-6-8-15(3,4)14(13)10-16(11,5)12(2)17/h9,11,14H,6-8,10H2,1-5H3
InChIKey
NOMWSTMYQKABST-UHFFFAOYSA-N
Compound name
1-(2,3,8,8-tetramethyl-1,3,5,6,7,8a-hexahydronaphthalen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

217
Patents

234.19836 Da
Monoisotopic Mass

3.8
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

literature stripe

Patent stripe

patents stripe