CID 12529188

Ec 405-350-1

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

55
Patents

248.15248 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 161.0
[M+Na]+ 271.14170 164.8
[M-H]- 247.14520 164.6
[M+NH4]+ 266.18630 177.7
[M+K]+ 287.11564 163.5
[M+H-H2O]+ 231.14974 153.3
[M+HCOO]- 293.15068 184.6
[M+CH3COO]- 307.16633 201.7
[M+Na-2H]- 269.12715 162.7
[M]+ 248.15193 161.4
[M]- 248.15303 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