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]+ 305.24751 175.3
[M+Na]+ 327.22945 179.1
[M-H]- 303.23295 176.7
[M+NH4]+ 322.27405 194.8
[M+K]+ 343.20339 174.8
[M+H-H2O]+ 287.23749 170.8
[M+HCOO]- 349.23843 186.1
[M+CH3COO]- 363.25408 206.6
[M+Na-2H]- 325.21490 173.7
[M]+ 304.23968 170.1
[M]- 304.24078 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.