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]+ 298.274056 182.7
[M+Na]+ 320.255998 184.3
[M-H]- 296.259504 180.4
[M+NH4]+ 315.300603 197.6
[M+K]+ 336.229938 181.3
[M+H-H2O]+ 280.264040 175.6
[M+HCOO]- 342.264981 201.9
[M+CH3COO]- 356.280631 210.0
[M+Na-2H]- 318.241446 180.0
[M]+ 297.26623142 186.7
[M]- 297.26732858 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