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
3
Annotation Hits

0
References

35
Patents

188.1565 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.163776 142.1
[M+Na]+ 211.145718 151.8
[M-H]- 187.149224 147.3
[M+NH4]+ 206.190323 169.4
[M+K]+ 227.119658 148.3
[M+H-H2O]+ 171.153760 137.9
[M+HCOO]- 233.154701 164.4
[M+CH3COO]- 247.170351 185.8
[M+Na-2H]- 209.131166 148.3
[M]+ 188.15595142 143.3
[M]- 188.15704858 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