CID 3553438

22825-16-7

Structural Information

Molecular Formula

C₁₅H₂₂O

SMILES

CC1=CC(=CC2=C1C(CCC2(C)C)(C)C)O

InChI

InChI=1S/C15H22O/c1-10-8-11(16)9-12-13(10)15(4,5)7-6-14(12,2)3/h8-9,16H,6-7H2,1-5H3

InChIKey

UAYJSXUMQWEYEQ-UHFFFAOYSA-N

Compound name

4,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.16707 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]+	219.174346	148.3
[M+Na]+	241.156288	157.9
[M-H]-	217.159794	152.3
[M+NH4]+	236.200893	172.4
[M+K]+	257.130228	154.4
[M+H-H2O]+	201.164330	144.1
[M+HCOO]-	263.165271	166.6
[M+CH3COO]-	277.180921	190.9
[M+Na-2H]-	239.141736	153.8
[M]+	218.16652142	148.2
[M]-	218.16761858	148.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe