CID 14335951

16.beta.-hydro-ent-kauran-17-oic acid

Structural Information

Molecular Formula
C20H32O2
SMILES
CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)C(=O)O)C)C
InChI
InChI=1S/C20H32O2/c1-18(2)8-4-9-19(3)15(18)7-10-20-11-13(5-6-16(19)20)14(12-20)17(21)22/h13-16H,4-12H2,1-3H3,(H,21,22)
InChIKey
KNCGYSOHQZGPKT-UHFFFAOYSA-N
Compound name
5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

3
Patents

304.24023 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.247506 178.3
[M+Na]+ 327.229448 182.3
[M-H]- 303.232954 180.1
[M+NH4]+ 322.274053 203.1
[M+K]+ 343.203388 176.9
[M+H-H2O]+ 287.237490 172.3
[M+HCOO]- 349.238431 185.1
[M+CH3COO]- 363.254081 186.5
[M+Na-2H]- 325.214896 178.5
[M]+ 304.23968142 170.9
[M]- 304.24077858 170.9
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

patents stripe