CID 66469

1h-indene, 2,3-dihydro-1,1,3,3,5-pentamethyl-

Structural Information

Molecular Formula
C14H20
SMILES
CC1=CC2=C(C=C1)C(CC2(C)C)(C)C
InChI
InChI=1S/C14H20/c1-10-6-7-11-12(8-10)14(4,5)9-13(11,2)3/h6-8H,9H2,1-5H3
InChIKey
NNXHDILUOAXSPU-UHFFFAOYSA-N
Compound name
1,1,3,3,5-pentamethyl-2H-indene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

114
Patents

188.1565 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.163776 140.4
[M+Na]+ 211.145718 151.0
[M-H]- 187.149224 146.0
[M+NH4]+ 206.190323 168.1
[M+K]+ 227.119658 147.6
[M+H-H2O]+ 171.153760 136.6
[M+HCOO]- 233.154701 162.7
[M+CH3COO]- 247.170351 186.9
[M+Na-2H]- 209.131166 146.1
[M]+ 188.15595142 142.0
[M]- 188.15704858 142.0
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