CID 108523

1-ethyl-1,3,3-trimethylindan

Structural Information

Molecular Formula
C14H20
SMILES
CCC1(CC(C2=CC=CC=C21)(C)C)C
InChI
InChI=1S/C14H20/c1-5-14(4)10-13(2,3)11-8-6-7-9-12(11)14/h6-9H,5,10H2,1-4H3
InChIKey
VAGHKHBGEGOUMJ-UHFFFAOYSA-N
Compound name
1-ethyl-1,3,3-trimethyl-2H-indene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

27
Patents

188.1565 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.16378 142.1
[M+Na]+ 211.14572 151.8
[M-H]- 187.14922 147.3
[M+NH4]+ 206.19032 169.4
[M+K]+ 227.11966 148.3
[M+H-H2O]+ 171.15376 137.9
[M+HCOO]- 233.15470 164.4
[M+CH3COO]- 247.17035 185.8
[M+Na-2H]- 209.13117 148.3
[M]+ 188.15595 143.3
[M]- 188.15705 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe