CID 118987

Hexadecyl 3-amino-2-butenoate

Structural Information

Molecular Formula
C20H39NO2
SMILES
CCCCCCCCCCCCCCCCOC(=O)C=C(C)N
InChI
InChI=1S/C20H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-20(22)18-19(2)21/h18H,3-17,21H2,1-2H3
InChIKey
WOLABOYSWAHDTO-UHFFFAOYSA-N
Compound name
hexadecyl 3-aminobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.29807 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.30535 189.0
[M+Na]+ 348.28729 194.6
[M+NH4]+ 343.33189 193.4
[M+K]+ 364.26123 187.4
[M-H]- 324.29079 187.1
[M+Na-2H]- 346.27274 187.8
[M]+ 325.29752 188.7
[M]- 325.29862 188.7
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.