CID 13885

Naphthalene, decahydro-2,3-dimethyl-

Structural Information

Molecular Formula
C12H22
SMILES
CC1CC2CCCCC2CC1C
InChI
InChI=1S/C12H22/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h9-12H,3-8H2,1-2H3
InChIKey
UBGLIVPMNDOOTE-UHFFFAOYSA-N
Compound name
2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

37
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.