CID 10224

1,6-dimethyl-4-isopropyltetralin

Structural Information

Molecular Formula
C15H22
SMILES
CC1CCC(C2=C1C=CC(=C2)C)C(C)C
InChI
InChI=1S/C15H22/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5,7,9-10,12-13H,6,8H2,1-4H3
InChIKey
PGTJIOWQJWHTJJ-UHFFFAOYSA-N
Compound name
1,6-dimethyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

529
Patents

202.17215 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.17943 147.2
[M+Na]+ 225.16137 154.0
[M-H]- 201.16487 151.5
[M+NH4]+ 220.20597 168.1
[M+K]+ 241.13531 150.8
[M+H-H2O]+ 185.16941 141.5
[M+HCOO]- 247.17035 165.8
[M+CH3COO]- 261.18600 191.9
[M+Na-2H]- 223.14682 150.2
[M]+ 202.17160 145.6
[M]- 202.17270 145.6
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