CID 33053

1-ethyldecalin

Structural Information

Molecular Formula
C12H22
SMILES
CCC1CCCC2C1CCCC2
InChI
InChI=1S/C12H22/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h10-12H,2-9H2,1H3
InChIKey
HUMCBDCARGDFNV-UHFFFAOYSA-N
Compound name
1-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

670
Patents

166.17215 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.179426 139.9
[M+Na]+ 189.161368 143.1
[M-H]- 165.164874 142.6
[M+NH4]+ 184.205973 161.3
[M+K]+ 205.135308 140.7
[M+H-H2O]+ 149.169410 134.0
[M+HCOO]- 211.170351 156.0
[M+CH3COO]- 225.186001 180.8
[M+Na-2H]- 187.146816 143.8
[M]+ 166.17160142 132.6
[M]- 166.17269858 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