CID 77154

3605-31-0

Structural Information

Molecular Formula

C₁₅H₂₂

SMILES

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

InChI

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

InChIKey

ZGPWHILODVHWKJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 68
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]+	203.17943	148.4
[M+Na]+	225.16137	157.2
[M-H]-	201.16487	153.4
[M+NH4]+	220.20597	173.4
[M+K]+	241.13531	153.9
[M+H-H2O]+	185.16941	144.3
[M+HCOO]-	247.17035	168.7
[M+CH3COO]-	261.18600	188.8
[M+Na-2H]-	223.14682	153.7
[M]+	202.17160	149.1
[M]-	202.17270	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe