CID 62343925

4-[ethyl(methyl)amino]but-2-enoic acid hydrochloride

Structural Information

Molecular Formula
C7H13NO2
SMILES
CCN(C)C/C=C/C(=O)O
InChI
InChI=1S/C7H13NO2/c1-3-8(2)6-4-5-7(9)10/h4-5H,3,6H2,1-2H3,(H,9,10)/b5-4+
InChIKey
PJSVSBSQPJIHNV-SNAWJCMRSA-N
Compound name
(E)-4-[ethyl(methyl)amino]but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

143.09464 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 131.7
[M+Na]+ 166.083858 137.8
[M-H]- 142.087364 132.0
[M+NH4]+ 161.128463 152.9
[M+K]+ 182.057798 138.0
[M+H-H2O]+ 126.091900 126.7
[M+HCOO]- 188.092841 155.1
[M+CH3COO]- 202.108491 178.1
[M+Na-2H]- 164.069306 135.9
[M]+ 143.09409142 132.7
[M]- 143.09518858 132.7
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