CID 52921867

Ceriporic acid b

Structural Information

Molecular Formula
C21H38O4
SMILES
CCCCCCCCCCCCCCCC[C@H](C(=C)C(=O)O)C(=O)O
InChI
InChI=1S/C21H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21(24)25)18(2)20(22)23/h19H,2-17H2,1H3,(H,22,23)(H,24,25)/t19-/m1/s1
InChIKey
GFBJXFMJWQHQJC-LJQANCHMSA-N
Compound name
(2R)-2-hexadecyl-3-methylidenebutanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

354.277 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.28428 196.6
[M+Na]+ 377.26622 196.5
[M-H]- 353.26972 191.4
[M+NH4]+ 372.31082 196.4
[M+K]+ 393.24016 192.8
[M+H-H2O]+ 337.27426 189.7
[M+HCOO]- 399.27520 199.4
[M+CH3COO]- 413.29085 215.5
[M+Na-2H]- 375.25167 189.8
[M]+ 354.27645 200.7
[M]- 354.27755 200.7
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.