CID 73800197

Dimethyl ent-16alpha-kaurane-17,19-dioate

Structural Information

Molecular Formula
C22H34O4
SMILES
CC12CCCC(C1CCC34C2CCC(C3)C(C4)C(=O)OC)(C)C(=O)OC
InChI
InChI=1S/C22H34O4/c1-20-9-5-10-21(2,19(24)26-4)16(20)8-11-22-12-14(6-7-17(20)22)15(13-22)18(23)25-3/h14-17H,5-13H2,1-4H3
InChIKey
USASLHCCADYMNF-UHFFFAOYSA-N
Compound name
dimethyl 5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5,14-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.2457 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.25298 190.8
[M+Na]+ 385.23492 194.0
[M-H]- 361.23842 193.4
[M+NH4]+ 380.27952 213.6
[M+K]+ 401.20886 190.4
[M+H-H2O]+ 345.24296 184.7
[M+HCOO]- 407.24390 197.7
[M+CH3COO]- 421.25955 216.7
[M+Na-2H]- 383.22037 190.0
[M]+ 362.24515 187.4
[M]- 362.24625 187.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.