CID 528761

3,3a,7,7-tetramethyl-6,7-dihydro-3ah-indene

Structural Information

Molecular Formula

C₁₃H₁₈

SMILES

CC1=CC=C2C1(C=CCC2(C)C)C

InChI

InChI=1S/C13H18/c1-10-6-7-11-12(2,3)8-5-9-13(10,11)4/h5-7,9H,8H2,1-4H3

InChIKey

XOFDOXJFXCEFDE-UHFFFAOYSA-N

Compound name

1,4,4,7a-tetramethyl-5H-indene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 174.14085 Da
Monoisotopic Mass: 3.7
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]+	175.148126	137.4
[M+Na]+	197.130068	147.6
[M-H]-	173.133574	142.9
[M+NH4]+	192.174673	165.3
[M+K]+	213.104008	144.3
[M+H-H2O]+	157.138110	133.5
[M+HCOO]-	219.139051	160.1
[M+CH3COO]-	233.154701	182.8
[M+Na-2H]-	195.115516	144.2
[M]+	174.14030142	138.3
[M]-	174.14139858	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe