CID 73188492

63399-38-2

Structural Information

Molecular Formula
C20H32O3
SMILES
CC(=CC(=O)O)CCC1C(=C)CCC2C1(CCC(C2(C)C)O)C
InChI
InChI=1S/C20H32O3/c1-13(12-18(22)23)6-8-15-14(2)7-9-16-19(3,4)17(21)10-11-20(15,16)5/h12,15-17,21H,2,6-11H2,1,3-5H3,(H,22,23)
InChIKey
LNWOKEZJIRLIDO-UHFFFAOYSA-N
Compound name
5-(6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

320.23514 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.242416 177.9
[M+Na]+ 343.224358 182.0
[M-H]- 319.227864 178.1
[M+NH4]+ 338.268963 196.2
[M+K]+ 359.198298 177.6
[M+H-H2O]+ 303.232400 174.0
[M+HCOO]- 365.233341 187.3
[M+CH3COO]- 379.248991 207.7
[M+Na-2H]- 341.209806 175.5
[M]+ 320.23459142 172.9
[M]- 320.23568858 172.9
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