CID 81186

6683-46-1

Structural Information

Molecular Formula
C14H20
SMILES
CC1(CCC(C2=CC=CC=C21)(C)C)C
InChI
InChI=1S/C14H20/c1-13(2)9-10-14(3,4)12-8-6-5-7-11(12)13/h5-8H,9-10H2,1-4H3
InChIKey
CCQKWSZYTOCEIB-UHFFFAOYSA-N
Compound name
1,1,4,4-tetramethyl-2,3-dihydronaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

851
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 141.8
[M+Na]+ 211.145718 150.4
[M-H]- 187.149224 146.7
[M+NH4]+ 206.190323 167.2
[M+K]+ 227.119658 147.4
[M+H-H2O]+ 171.153760 136.8
[M+HCOO]- 233.154701 161.8
[M+CH3COO]- 247.170351 186.1
[M+Na-2H]- 209.131166 149.3
[M]+ 188.15595142 140.8
[M]- 188.15704858 140.8
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