CID 131752059

(+)-copalic acid

Structural Information

Molecular Formula
C20H32O2
SMILES
C/C(=C/C(=O)O)/CCC1C(=C)CCC2C1(CCCC2(C)C)C
InChI
InChI=1S/C20H32O2/c1-14(13-18(21)22)7-9-16-15(2)8-10-17-19(3,4)11-6-12-20(16,17)5/h13,16-17H,2,6-12H2,1,3-5H3,(H,21,22)/b14-13-
InChIKey
JFQBNOIJWROZGE-YPKPFQOOSA-N
Compound name
(Z)-5-(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

0
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 175.3
[M+Na]+ 327.229448 179.1
[M-H]- 303.232954 176.7
[M+NH4]+ 322.274053 194.8
[M+K]+ 343.203388 174.8
[M+H-H2O]+ 287.237490 170.8
[M+HCOO]- 349.238431 186.1
[M+CH3COO]- 363.254081 206.6
[M+Na-2H]- 325.214896 173.7
[M]+ 304.23968142 170.1
[M]- 304.24077858 170.1
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.