CID 523106

1,1,5,6-tetramethyl-2,3-dihydro-1h-indene

Structural Information

Molecular Formula
C13H18
SMILES
CC1=CC2=C(C=C1C)C(CC2)(C)C
InChI
InChI=1S/C13H18/c1-9-7-11-5-6-13(3,4)12(11)8-10(9)2/h7-8H,5-6H2,1-4H3
InChIKey
SOVJMXNIZUPIFE-UHFFFAOYSA-N
Compound name
3,3,5,6-tetramethyl-1,2-dihydroindene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

174.14085 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.14813 137.8
[M+Na]+ 197.13007 147.8
[M-H]- 173.13357 143.1
[M+NH4]+ 192.17467 164.0
[M+K]+ 213.10401 144.5
[M+H-H2O]+ 157.13811 133.6
[M+HCOO]- 219.13905 160.4
[M+CH3COO]- 233.15470 184.2
[M+Na-2H]- 195.11552 142.8
[M]+ 174.14030 138.7
[M]- 174.14140 138.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe