CID 79420

3,3,6,8-tetramethyl-1-tetralone

Structural Information

Molecular Formula
C14H18O
SMILES
CC1=CC(=C2C(=C1)CC(CC2=O)(C)C)C
InChI
InChI=1S/C14H18O/c1-9-5-10(2)13-11(6-9)7-14(3,4)8-12(13)15/h5-6H,7-8H2,1-4H3
InChIKey
SHSYEGQDGZAMNV-UHFFFAOYSA-N
Compound name
3,3,6,8-tetramethyl-2,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

9
Patents

202.13577 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.143046 142.8
[M+Na]+ 225.124988 152.5
[M-H]- 201.128494 148.1
[M+NH4]+ 220.169593 166.1
[M+K]+ 241.098928 149.3
[M+H-H2O]+ 185.133030 137.9
[M+HCOO]- 247.133971 163.2
[M+CH3COO]- 261.149621 189.8
[M+Na-2H]- 223.110436 148.2
[M]+ 202.13522142 143.0
[M]- 202.13631858 143.0
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