CID 11322274

Ethanone, 1-((1r,2s)-1,2,3,4,5,6,7,8-octahydro-1,2,8,8-tetramethyl-2-naphthalenyl)-, rel-

Structural Information

Molecular Formula
C16H26O
SMILES
C[C@@H]1C2=C(CCCC2(C)C)CC[C@]1(C)C(=O)C
InChI
InChI=1S/C16H26O/c1-11-14-13(7-6-9-15(14,3)4)8-10-16(11,5)12(2)17/h11H,6-10H2,1-5H3/t11-,16+/m1/s1
InChIKey
YQYKESUTYHZAGG-BZNIZROVSA-N
Compound name
1-[(1R,2S)-1,2,8,8-tetramethyl-1,3,4,5,6,7-hexahydronaphthalen-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

517
Patents

234.19836 Da
Monoisotopic Mass

3.5
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

No literature data available for this compound.

Patent stripe

patents stripe