CID 93034

Tetradecahydroanthracene

Structural Information

Molecular Formula

C₁₄H₂₄

SMILES

C1CCC2CC3CCCCC3CC2C1

InChI

InChI=1S/C14H24/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h11-14H,1-10H2

InChIKey

GVJFFQYXVOJXFI-UHFFFAOYSA-N

Compound name

1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 4984
Patents: 192.1878 Da
Monoisotopic Mass: 6.0
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]+	193.19508	145.3
[M+Na]+	215.17702	146.8
[M-H]-	191.18052	148.0
[M+NH4]+	210.22162	166.1
[M+K]+	231.15096	143.4
[M+H-H2O]+	175.18506	138.5
[M+HCOO]-	237.18600	157.5
[M+CH3COO]-	251.20165	155.1
[M+Na-2H]-	213.16247	149.0
[M]+	192.18725	134.3
[M]-	192.18835	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe