CID 14026682

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

Structural Information

Molecular Formula
C13H18
SMILES
CC1(CC(C2=CC=CC=C21)(C)C)C
InChI
InChI=1S/C13H18/c1-12(2)9-13(3,4)11-8-6-5-7-10(11)12/h5-8H,9H2,1-4H3
InChIKey
IWIWGFMIKABCFO-UHFFFAOYSA-N
Compound name
1,1,3,3-tetramethyl-2H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

256
Patents

174.14085 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.14813 137.4
[M+Na]+ 197.13007 147.6
[M-H]- 173.13357 142.9
[M+NH4]+ 192.17467 165.3
[M+K]+ 213.10401 144.3
[M+H-H2O]+ 157.13811 133.5
[M+HCOO]- 219.13905 160.1
[M+CH3COO]- 233.15470 182.8
[M+Na-2H]- 195.11552 144.2
[M]+ 174.14030 138.3
[M]- 174.14140 138.3
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