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
1
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]+ 247.20564 154.8
[M+Na]+ 269.18758 164.7
[M-H]- 245.19108 159.3
[M+NH4]+ 264.23218 183.7
[M+K]+ 285.16152 159.8
[M+H-H2O]+ 229.19562 152.8
[M+HCOO]- 291.19656 165.8
[M+CH3COO]- 305.21221 166.9
[M+Na-2H]- 267.17303 158.3
[M]+ 246.19781 162.3
[M]- 246.19891 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.