CID 53436745

Ns00062890

Structural Information

Molecular Formula
C18H33NO4
SMILES
CCCCCCCCCCCCC(=CC(=O)O)C(=O)NCCO
InChI
InChI=1S/C18H33NO4/c1-2-3-4-5-6-7-8-9-10-11-12-16(15-17(21)22)18(23)19-13-14-20/h15,20H,2-14H2,1H3,(H,19,23)(H,21,22)
InChIKey
WWOFIZZYJHZNNI-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethylcarbamoyl)pentadec-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.24097 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.248246 187.0
[M+Na]+ 350.230188 187.5
[M-H]- 326.233694 182.3
[M+NH4]+ 345.274793 199.0
[M+K]+ 366.204128 184.1
[M+H-H2O]+ 310.238230 179.9
[M+HCOO]- 372.239171 203.3
[M+CH3COO]- 386.254821 209.6
[M+Na-2H]- 348.215636 183.2
[M]+ 327.24042142 189.6
[M]- 327.24151858 189.6
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.