CID 131751098

Acorusnol

Structural Information

Molecular Formula

C₁₅H₂₄O₂

SMILES

CC1=C2C(=O)C(CCC2(C(CC1)O)C)C(C)C

InChI

InChI=1S/C15H24O2/c1-9(2)11-7-8-15(4)12(16)6-5-10(3)13(15)14(11)17/h9,11-12,16H,5-8H2,1-4H3

InChIKey

SZNXJUGSSOHWJM-UHFFFAOYSA-N

Compound name

5-hydroxy-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 236.17763 Da
Monoisotopic Mass: 2.7
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]+	237.184906	155.0
[M+Na]+	259.166848	161.4
[M-H]-	235.170354	157.8
[M+NH4]+	254.211453	175.8
[M+K]+	275.140788	158.6
[M+H-H2O]+	219.174890	150.4
[M+HCOO]-	281.175831	169.6
[M+CH3COO]-	295.191481	194.1
[M+Na-2H]-	257.152296	156.2
[M]+	236.17708142	151.7
[M]-	236.17817858	151.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.