CID 14635430

Ent-6,16-kauradien-19-oic acid

Structural Information

Molecular Formula
C20H28O2
SMILES
CC12CCCC(C1C=CC34C2CCC(C3)C(=C)C4)(C)C(=O)O
InChI
InChI=1S/C20H28O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h7,10,14-16H,1,4-6,8-9,11-12H2,2-3H3,(H,21,22)
InChIKey
CZTZKVUEUYRGFD-UHFFFAOYSA-N
Compound name
5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadec-2-ene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

300.20892 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.21620 175.5
[M+Na]+ 323.19814 180.8
[M-H]- 299.20164 177.9
[M+NH4]+ 318.24274 200.5
[M+K]+ 339.17208 174.7
[M+H-H2O]+ 283.20618 169.5
[M+HCOO]- 345.20712 184.0
[M+CH3COO]- 359.22277 184.4
[M+Na-2H]- 321.18359 176.8
[M]+ 300.20837 169.0
[M]- 300.20947 169.0
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.