CID 12529188

54527-73-0

Structural Information

Molecular Formula
C14H20N2O2
SMILES
C/C(=C/C(=O)OCCN(C)CC1=CC=CC=C1)/N
InChI
InChI=1S/C14H20N2O2/c1-12(15)10-14(17)18-9-8-16(2)11-13-6-4-3-5-7-13/h3-7,10H,8-9,11,15H2,1-2H3/b12-10-
InChIKey
UECDKJVOYBYWQP-BENRWUELSA-N
Compound name
2-[benzyl(methyl)amino]ethyl (Z)-3-aminobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

248.15248 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.159756 161.0
[M+Na]+ 271.141698 164.8
[M-H]- 247.145204 164.6
[M+NH4]+ 266.186303 177.7
[M+K]+ 287.115638 163.5
[M+H-H2O]+ 231.149740 153.3
[M+HCOO]- 293.150681 184.6
[M+CH3COO]- 307.166331 201.7
[M+Na-2H]- 269.127146 162.7
[M]+ 248.15193142 161.4
[M]- 248.15302858 161.4
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

patents stripe