CID 81187

6683-48-3

Structural Information

Molecular Formula

C₁₅H₂₂

SMILES

CC1=CC2=C(C=C1)C(CCC2(C)C)(C)C

InChI

InChI=1S/C15H22/c1-11-6-7-12-13(10-11)15(4,5)9-8-14(12,2)3/h6-7,10H,8-9H2,1-5H3

InChIKey

AISXBZVAYNUAKB-UHFFFAOYSA-N

Compound name

1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 474
Patents: 202.17215 Da
Monoisotopic Mass: 5.4
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]+	203.179426	144.8
[M+Na]+	225.161368	154.0
[M-H]-	201.164874	150.0
[M+NH4]+	220.205973	170.0
[M+K]+	241.135308	150.8
[M+H-H2O]+	185.169410	140.1
[M+HCOO]-	247.170351	164.5
[M+CH3COO]-	261.186001	190.3
[M+Na-2H]-	223.146816	151.3
[M]+	202.17160142	144.6
[M]-	202.17269858	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe