CID 137323806

5r,6r-epoxy-7-eicosynoic acid

Structural Information

Molecular Formula
C20H34O3
SMILES
CCCCCCCCCCCCC#C[C@@H]1[C@H](O1)CCCC(=O)O
InChI
InChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h18-19H,2-12,14,16-17H2,1H3,(H,21,22)/t18-,19-/m1/s1
InChIKey
DRLUZIPKHGLGFT-RTBURBONSA-N
Compound name
4-[(2R,3R)-3-tetradec-1-ynyloxiran-2-yl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2508 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.25808 169.4
[M+Na]+ 345.24002 180.6
[M-H]- 321.24352 172.5
[M+NH4]+ 340.28462 178.6
[M+K]+ 361.21396 173.4
[M+H-H2O]+ 305.24806 159.0
[M+HCOO]- 367.24900 183.8
[M+CH3COO]- 381.26465 215.9
[M+Na-2H]- 343.22547 171.1
[M]+ 322.25025 174.3
[M]- 322.25135 174.3
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.