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 191.6
[M+Na]+ 348.28729 192.4
[M-H]- 324.29079 188.9
[M+NH4]+ 343.33189 205.3
[M+K]+ 364.26123 188.8
[M+H-H2O]+ 308.29533 184.1
[M+HCOO]- 370.29627 210.1
[M+CH3COO]- 384.31192 215.9
[M+Na-2H]- 346.27274 187.9
[M]+ 325.29752 196.4
[M]- 325.29862 196.4
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.