CID 557347

Schembl1237248

Structural Information

Molecular Formula
C12H22
SMILES
CC1(CCCC2C1CCCC2)C
InChI
InChI=1S/C12H22/c1-12(2)9-5-7-10-6-3-4-8-11(10)12/h10-11H,3-9H2,1-2H3
InChIKey
XQBJYAGJXKHDCL-UHFFFAOYSA-N
Compound name
8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydro-1H-naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

355
Patents

166.17215 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.179426 140.2
[M+Na]+ 189.161368 144.5
[M-H]- 165.164874 143.4
[M+NH4]+ 184.205973 163.7
[M+K]+ 205.135308 142.3
[M+H-H2O]+ 149.169410 134.8
[M+HCOO]- 211.170351 156.3
[M+CH3COO]- 225.186001 180.4
[M+Na-2H]- 187.146816 145.1
[M]+ 166.17160142 133.2
[M]- 166.17269858 133.2
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

patents stripe