CID 14838848

Indan, 1,1,4,5,6-pentamethyl-

Structural Information

Molecular Formula
C14H20
SMILES
CC1=CC2=C(CCC2(C)C)C(=C1C)C
InChI
InChI=1S/C14H20/c1-9-8-13-12(11(3)10(9)2)6-7-14(13,4)5/h8H,6-7H2,1-5H3
InChIKey
MFOOETCJBLULPZ-UHFFFAOYSA-N
Compound name
3,3,5,6,7-pentamethyl-1,2-dihydroindene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

188.1565 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.163776 141.2
[M+Na]+ 211.145718 151.7
[M-H]- 187.149224 146.8
[M+NH4]+ 206.190323 167.2
[M+K]+ 227.119658 148.2
[M+H-H2O]+ 171.153760 137.2
[M+HCOO]- 233.154701 163.4
[M+CH3COO]- 247.170351 188.3
[M+Na-2H]- 209.131166 145.1
[M]+ 188.15595142 142.8
[M]- 188.15704858 142.8
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