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 172.2
[M+Na]+ 325.21380 183.2
[M-H]- 301.21730 178.8
[M+NH4]+ 320.25840 205.4
[M+K]+ 341.18774 176.6
[M+H-H2O]+ 285.22184 171.9
[M+HCOO]- 347.22278 188.4
[M+CH3COO]- 361.23843 185.0
[M+Na-2H]- 323.19925 170.7
[M]+ 302.22403 174.6
[M]- 302.22513 174.6
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

patents stripe