CID 170852

Dodecahydro-1,1-dimethyl-1h-naphtho[2,3-c]pyran

Structural Information

Molecular Formula

C₁₅H₂₆O

SMILES

CC1(C2CC3CCCCC3CC2CCO1)C

InChI

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

InChIKey

LASFLQOBUGTTCJ-UHFFFAOYSA-N

Compound name

1,1-dimethyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydrobenzo[g]isochromene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 222.19836 Da
Monoisotopic Mass: 4.5
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	153.6
[M+Na]+	245.187578	156.9
[M-H]-	221.191084	157.5
[M+NH4]+	240.232183	174.3
[M+K]+	261.161518	154.9
[M+H-H2O]+	205.195620	146.9
[M+HCOO]-	267.196561	164.7
[M+CH3COO]-	281.212211	163.8
[M+Na-2H]-	243.173026	157.8
[M]+	222.19781142	145.7
[M]-	222.19890858	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe