CID 14287403

Bisacurol

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

CC(CC(C=C(C)C)O)C1CCC(=C)C=C1

InChI

InChI=1S/C15H24O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,7,9,13-16H,3,6,8,10H2,1-2,4H3

InChIKey

KRPZTCZJBVPGEM-UHFFFAOYSA-N

Compound name

2-methyl-6-(4-methylidenecyclohex-2-en-1-yl)hept-2-en-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 220.18271 Da
Monoisotopic Mass: 4.1
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	155.9
[M+Na]+	243.17193	159.2
[M-H]-	219.17543	156.9
[M+NH4]+	238.21653	173.5
[M+K]+	259.14587	156.1
[M+H-H2O]+	203.17997	150.3
[M+HCOO]-	265.18091	171.7
[M+CH3COO]-	279.19656	190.9
[M+Na-2H]-	241.15738	154.1
[M]+	220.18216	151.7
[M]-	220.18326	151.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.