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 158.5
[M+Na]+ 269.18758 166.8
[M-H]- 245.19108 164.2
[M+NH4]+ 264.23218 187.4
[M+K]+ 285.16152 162.6
[M+H-H2O]+ 229.19562 154.9
[M+HCOO]- 291.19656 175.7
[M+CH3COO]- 305.21221 197.6
[M+Na-2H]- 267.17303 159.5
[M]+ 246.19781 157.8
[M]- 246.19891 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.