CID 81187

6683-48-3

Structural Information

Molecular Formula
C15H22
SMILES
CC1=CC2=C(C=C1)C(CCC2(C)C)(C)C
InChI
InChI=1S/C15H22/c1-11-6-7-12-13(10-11)15(4,5)9-8-14(12,2)3/h6-7,10H,8-9H2,1-5H3
InChIKey
AISXBZVAYNUAKB-UHFFFAOYSA-N
Compound name
1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

438
Patents

202.17215 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.17943 144.8
[M+Na]+ 225.16137 154.0
[M-H]- 201.16487 150.0
[M+NH4]+ 220.20597 170.0
[M+K]+ 241.13531 150.8
[M+H-H2O]+ 185.16941 140.1
[M+HCOO]- 247.17035 164.5
[M+CH3COO]- 261.18600 190.3
[M+Na-2H]- 223.14682 151.3
[M]+ 202.17160 144.6
[M]- 202.17270 144.6
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