CID 5835909

Ethyl 3-(diethylamino)-crotonate

Structural Information

Molecular Formula
C10H19NO2
SMILES
CCN(CC)/C(=C/C(=O)OCC)/C
InChI
InChI=1S/C10H19NO2/c1-5-11(6-2)9(4)8-10(12)13-7-3/h8H,5-7H2,1-4H3/b9-8+
InChIKey
MNBAJVZFLPBXPG-CMDGGOBGSA-N
Compound name
ethyl (E)-3-(diethylamino)but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

185.14159 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.14887 145.4
[M+Na]+ 208.13081 150.6
[M-H]- 184.13431 146.7
[M+NH4]+ 203.17541 165.7
[M+K]+ 224.10475 151.3
[M+H-H2O]+ 168.13885 139.8
[M+HCOO]- 230.13979 168.4
[M+CH3COO]- 244.15544 190.1
[M+Na-2H]- 206.11626 147.3
[M]+ 185.14104 148.7
[M]- 185.14214 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe