CID 3320506

D-alpha,alpha'-bicamphor

Structural Information

Molecular Formula
C20H30O2
SMILES
CC1(C2CCC1(C(=O)C2C3C4CCC(C3=O)(C4(C)C)C)C)C
InChI
InChI=1S/C20H30O2/c1-17(2)11-7-9-19(17,5)15(21)13(11)14-12-8-10-20(6,16(14)22)18(12,3)4/h11-14H,7-10H2,1-6H3
InChIKey
FDWIVGHPYKMNRS-UHFFFAOYSA-N
Compound name
1,7,7-trimethyl-3-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

302.22458 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.23186 170.8
[M+Na]+ 325.21380 176.8
[M+NH4]+ 320.25840 185.0
[M+K]+ 341.18774 171.1
[M-H]- 301.21730 171.1
[M+Na-2H]- 323.19925 172.9
[M]+ 302.22403 172.1
[M]- 302.22513 172.1
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