CID 38021

5-(tert-butyl)-1,1-dimethylindan

Structural Information

Molecular Formula

C₁₅H₂₂

SMILES

CC1(CCC2=C1C=CC(=C2)C(C)(C)C)C

InChI

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

InChIKey

CVJYZSZDNBCBSS-UHFFFAOYSA-N

Compound name

6-tert-butyl-3,3-dimethyl-1,2-dihydroindene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 202.17215 Da
Monoisotopic Mass: 5.3
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	148.4
[M+Na]+	225.161368	157.2
[M-H]-	201.164874	153.4
[M+NH4]+	220.205973	173.4
[M+K]+	241.135308	153.9
[M+H-H2O]+	185.169410	144.3
[M+HCOO]-	247.170351	168.7
[M+CH3COO]-	261.186001	188.8
[M+Na-2H]-	223.146816	153.7
[M]+	202.17160142	149.1
[M]-	202.17269858	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe