CID 6432968

Tetradecyl 3-amino-2-butenoate

Structural Information

Molecular Formula
C18H35NO2
SMILES
CCCCCCCCCCCCCCOC(=O)/C=C(/C)\N
InChI
InChI=1S/C18H35NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21-18(20)16-17(2)19/h16H,3-15,19H2,1-2H3/b17-16-
InChIKey
CYQRNPRRACEWDZ-MSUUIHNZSA-N
Compound name
tetradecyl (Z)-3-aminobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

297.26678 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.27406 182.7
[M+Na]+ 320.25600 184.3
[M-H]- 296.25950 180.4
[M+NH4]+ 315.30060 197.6
[M+K]+ 336.22994 181.3
[M+H-H2O]+ 280.26404 175.6
[M+HCOO]- 342.26498 201.9
[M+CH3COO]- 356.28063 210.0
[M+Na-2H]- 318.24145 180.0
[M]+ 297.26623 186.7
[M]- 297.26733 186.7
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

patents stripe