CID 122550

Ethanone, 1-(1,2,3,4,7,7a-hexahydro-1,4,4,5-tetramethyl-1,3a-ethano-3ah-inden-6-yl)-

Structural Information

Molecular Formula
C17H26O
SMILES
CC1=C(CC2C3(CCC2(C1(C)C)CC3)C)C(=O)C
InChI
InChI=1S/C17H26O/c1-11-13(12(2)18)10-14-16(5)6-8-17(14,9-7-16)15(11,3)4/h14H,6-10H2,1-5H3
InChIKey
NVCKBQXBWJYISN-UHFFFAOYSA-N
Compound name
1-(2,2,3,7-tetramethyl-4-tricyclo[5.2.2.01,6]undec-3-enyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.19836 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.20564 159.0
[M+Na]+ 269.18758 168.0
[M+NH4]+ 264.23218 172.7
[M+K]+ 285.16152 159.5
[M-H]- 245.19108 161.0
[M+Na-2H]- 267.17303 164.6
[M]+ 246.19781 161.3
[M]- 246.19891 161.3
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.