CID 100943

Einecs 261-584-2

Structural Information

Molecular Formula
C17H26O
SMILES
CC(=O)C1CCC(C23C14C2CC(C3)C4(C)C)(C)C
InChI
InChI=1S/C17H26O/c1-10(18)12-6-7-14(2,3)16-9-11-8-13(16)17(12,16)15(11,4)5/h11-13H,6-9H2,1-5H3
InChIKey
HKTIONFMGKWLBV-UHFFFAOYSA-N
Compound name
1-(5,5,11,11-tetramethyl-2-tetracyclo[6.2.1.01,6.06,10]undecanyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

246.19836 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.205636 154.8
[M+Na]+ 269.187578 164.7
[M-H]- 245.191084 159.3
[M+NH4]+ 264.232183 183.7
[M+K]+ 285.161518 159.8
[M+H-H2O]+ 229.195620 152.8
[M+HCOO]- 291.196561 165.8
[M+CH3COO]- 305.212211 166.9
[M+Na-2H]- 267.173026 158.3
[M]+ 246.19781142 162.3
[M]- 246.19890858 162.3
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.