CID 109194

Ethanone, 1-(1,2,3,4,6,7,8,8a-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl)-

Structural Information

Molecular Formula
C16H26O
SMILES
CC1CC2=CCCC(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/h7,11,14H,6,8-10H2,1-5H3
InChIKey
YLWIXGWLTDBBHL-UHFFFAOYSA-N
Compound name
1-(2,3,8,8-tetramethyl-1,3,4,6,7,8a-hexahydronaphthalen-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

624
Patents

234.19836 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.20564 154.8
[M+Na]+ 257.18758 161.3
[M-H]- 233.19108 158.8
[M+NH4]+ 252.23218 178.2
[M+K]+ 273.16152 158.7
[M+H-H2O]+ 217.19562 150.1
[M+HCOO]- 279.19656 170.4
[M+CH3COO]- 293.21221 196.0
[M+Na-2H]- 255.17303 157.6
[M]+ 234.19781 152.1
[M]- 234.19891 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