CID 52921868

Ceriporic acid a

Structural Information

Molecular Formula
C19H34O4
SMILES
CCCCCCCCCCCCCC[C@H](C(=C)C(=O)O)C(=O)O
InChI
InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19(22)23)16(2)18(20)21/h17H,2-15H2,1H3,(H,20,21)(H,22,23)/t17-/m1/s1
InChIKey
CJCOOGIIQHVIQI-QGZVFWFLSA-N
Compound name
(3R)-2-methylidene-3-tetradecylbutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.2457 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.25298 187.6
[M+Na]+ 349.23492 188.4
[M-H]- 325.23842 182.9
[M+NH4]+ 344.27952 199.9
[M+K]+ 365.20886 185.1
[M+H-H2O]+ 309.24296 181.2
[M+HCOO]- 371.24390 201.6
[M+CH3COO]- 385.25955 209.6
[M+Na-2H]- 347.22037 181.9
[M]+ 326.24515 191.0
[M]- 326.24625 191.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.