CID 11458725

Einecs 254-774-1

Structural Information

Molecular Formula

C₁₅H₂₆O

SMILES

CC1(CCCC2C1CC3(COCC3C2)C)C

InChI

InChI=1S/C15H26O/c1-14(2)6-4-5-11-7-12-9-16-10-15(12,3)8-13(11)14/h11-13H,4-10H2,1-3H3

InChIKey

JOURIHHPSQYJHO-UHFFFAOYSA-N

Compound name

3a,5,5-trimethyl-1,3,4,4a,6,7,8,8a,9,9a-decahydrobenzo[f][2]benzofuran

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 222.19836 Da
Monoisotopic Mass: 4.4
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]+	223.205636	154.1
[M+Na]+	245.187578	159.6
[M-H]-	221.191084	158.8
[M+NH4]+	240.232183	179.0
[M+K]+	261.161518	157.3
[M+H-H2O]+	205.195620	149.0
[M+HCOO]-	267.196561	167.5
[M+CH3COO]-	281.212211	165.6
[M+Na-2H]-	243.173026	157.9
[M]+	222.19781142	148.9
[M]-	222.19890858	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe