CID 13885

Naphthalene, decahydro-2,3-dimethyl-

Structural Information

Molecular Formula

C₁₂H₂₂

SMILES

CC1CC2CCCCC2CC1C

InChI

InChI=1S/C12H22/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h9-12H,3-8H2,1-2H3

InChIKey

UBGLIVPMNDOOTE-UHFFFAOYSA-N

Compound name

2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 37
Patents: 166.17215 Da
Monoisotopic Mass: 5.1
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]+	167.179426	139.4
[M+Na]+	189.161368	143.6
[M-H]-	165.164874	142.6
[M+NH4]+	184.205973	161.2
[M+K]+	205.135308	141.3
[M+H-H2O]+	149.169410	133.9
[M+HCOO]-	211.170351	155.6
[M+CH3COO]-	225.186001	181.9
[M+Na-2H]-	187.146816	142.8
[M]+	166.17160142	132.6
[M]-	166.17269858	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe