CID 21116984

58200-83-2

Structural Information

Molecular Formula

C₁₇H₂₆O

SMILES

CC1=C(CCC2(C13CCCC2(CC3)C)C)C(=O)C

InChI

InChI=1S/C17H26O/c1-12-14(13(2)18)6-9-16(4)15(3)7-5-8-17(12,16)11-10-15/h5-11H2,1-4H3

InChIKey

LAJZGVJYVRDOEY-UHFFFAOYSA-N

Compound name

1-(2,6,7-trimethyl-3-tricyclo[5.3.2.01,6]dodec-2-enyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 246.19836 Da
Monoisotopic Mass: 4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	247.20564	159.6
[M+Na]+	269.18758	166.1
[M-H]-	245.19108	164.5
[M+NH4]+	264.23218	186.4
[M+K]+	285.16152	162.3
[M+H-H2O]+	229.19562	154.5
[M+HCOO]-	291.19656	174.6
[M+CH3COO]-	305.21221	196.6
[M+Na-2H]-	267.17303	162.3
[M]+	246.19781	156.3
[M]-	246.19891	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe