CID 53480963

1,3-dihydroxypropan-2-yl (z)-icos-11-enoate

Structural Information

Molecular Formula
C23H44O4
SMILES
CCCCCCCC/C=C\CCCCCCCCCC(=O)OC(CO)CO
InChI
InChI=1S/C23H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h9-10,22,24-25H,2-8,11-21H2,1H3/b10-9-
InChIKey
YRAZXZXQMMJRRV-KTKRTIGZSA-N
Compound name
1,3-dihydroxypropan-2-yl (Z)-icos-11-enoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

384.32397 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.33125 206.5
[M+Na]+ 407.31319 205.9
[M-H]- 383.31669 200.9
[M+NH4]+ 402.35779 205.3
[M+K]+ 423.28713 201.2
[M+H-H2O]+ 367.32123 199.0
[M+HCOO]- 429.32217 215.1
[M+CH3COO]- 443.33782 219.1
[M+Na-2H]- 405.29864 201.2
[M]+ 384.32342 213.3
[M]- 384.32452 213.3
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.