CID 163278

68907-19-7

Structural Information

Molecular Formula

C₁₅H₂₆

SMILES

CC1CCC(CC2=C1CCC2C)C(C)C

InChI

InChI=1S/C15H26/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h10-13H,5-9H2,1-4H3

InChIKey

XURCUMFVQKJMJP-UHFFFAOYSA-N

Compound name

1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6,7,8-octahydroazulene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 737
Patents: 206.20345 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]+	207.21073	147.8
[M+Na]+	229.19267	156.5
[M+NH4]+	224.23727	156.8
[M+K]+	245.16661	152.8
[M-H]-	205.19617	150.2
[M+Na-2H]-	227.17812	151.0
[M]+	206.20290	149.7
[M]-	206.20400	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe