CID 21717806

13950-38-4

Structural Information

Molecular Formula
C12H22
SMILES
CC12CCCCC1(CCCC2)C
InChI
InChI=1S/C12H22/c1-11-7-3-5-9-12(11,2)10-6-4-8-11/h3-10H2,1-2H3
InChIKey
FUUGBGSHEIEQMS-UHFFFAOYSA-N
Compound name
4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

312
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 141.0
[M+Na]+ 189.161368 145.4
[M-H]- 165.164874 144.3
[M+NH4]+ 184.205973 166.2
[M+K]+ 205.135308 143.4
[M+H-H2O]+ 149.169410 135.8
[M+HCOO]- 211.170351 157.2
[M+CH3COO]- 225.186001 179.1
[M+Na-2H]- 187.146816 147.5
[M]+ 166.17160142 134.0
[M]- 166.17269858 134.0
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