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]+ 247.205636 158.5
[M+Na]+ 269.187578 166.8
[M-H]- 245.191084 164.2
[M+NH4]+ 264.232183 187.4
[M+K]+ 285.161518 162.6
[M+H-H2O]+ 229.195620 154.9
[M+HCOO]- 291.196561 175.7
[M+CH3COO]- 305.212211 197.6
[M+Na-2H]- 267.173026 159.5
[M]+ 246.19781142 157.8
[M]- 246.19890858 157.8
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.