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]+ 303.231856 172.2
[M+Na]+ 325.213798 183.2
[M-H]- 301.217304 178.8
[M+NH4]+ 320.258403 205.4
[M+K]+ 341.187738 176.6
[M+H-H2O]+ 285.221840 171.9
[M+HCOO]- 347.222781 188.4
[M+CH3COO]- 361.238431 185.0
[M+Na-2H]- 323.199246 170.7
[M]+ 302.22403142 174.6
[M]- 302.22512858 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