CID 106835

67814-48-6

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

CC1C(=O)CCC2(C13CCCC2(CC3)C)C

InChI

InChI=1S/C15H24O/c1-11-12(16)5-8-14(3)13(2)6-4-7-15(11,14)10-9-13/h11H,4-10H2,1-3H3

InChIKey

JQHYUGVPUKWTMN-UHFFFAOYSA-N

Compound name

2,6,7-trimethyltricyclo[5.3.2.01,6]dodecan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 220.18271 Da
Monoisotopic Mass: 4.3
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]+	221.18999	154.3
[M+Na]+	243.17193	164.0
[M+NH4]+	238.21653	168.8
[M+K]+	259.14587	152.9
[M-H]-	219.17543	157.2
[M+Na-2H]-	241.15738	160.9
[M]+	220.18216	156.9
[M]-	220.18326	156.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe