CID 15379

2,6-dimethyldecalin

Structural Information

Molecular Formula
C12H22
SMILES
CC1CCC2CC(CCC2C1)C
InChI
InChI=1S/C12H22/c1-9-3-5-12-8-10(2)4-6-11(12)7-9/h9-12H,3-8H2,1-2H3
InChIKey
XNOHNIPVHGINQP-UHFFFAOYSA-N
Compound name
2,6-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

650
Patents

166.17215 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.17943 139.4
[M+Na]+ 189.16137 143.6
[M-H]- 165.16487 142.6
[M+NH4]+ 184.20597 161.2
[M+K]+ 205.13531 141.3
[M+H-H2O]+ 149.16941 133.9
[M+HCOO]- 211.17035 155.6
[M+CH3COO]- 225.18600 181.9
[M+Na-2H]- 187.14682 142.8
[M]+ 166.17160 132.6
[M]- 166.17270 132.6
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