CID 20491395

Schembl2437000

Structural Information

Molecular Formula
C12H20
SMILES
CC1(CCC2C1C3CCC2C3)C
InChI
InChI=1S/C12H20/c1-12(2)6-5-10-8-3-4-9(7-8)11(10)12/h8-11H,3-7H2,1-2H3
InChIKey
CDDYFYBRZJSGNG-UHFFFAOYSA-N
Compound name
3,3-dimethyltricyclo[5.2.1.02,6]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

164.1565 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.163776 143.6
[M+Na]+ 187.145718 151.4
[M-H]- 163.149224 147.4
[M+NH4]+ 182.190323 174.2
[M+K]+ 203.119658 148.1
[M+H-H2O]+ 147.153760 140.4
[M+HCOO]- 209.154701 162.9
[M+CH3COO]- 223.170351 157.1
[M+Na-2H]- 185.131166 144.8
[M]+ 164.15595142 141.4
[M]- 164.15704858 141.4
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