CID 14805664

4-(dimethylamino)-2-butenoic acid hydrochloride

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CN(C)C/C=C/C(=O)O

InChI

InChI=1S/C6H11NO2/c1-7(2)5-3-4-6(8)9/h3-4H,5H2,1-2H3,(H,8,9)/b4-3+

InChIKey

ITGIYLMMAABTHC-ONEGZZNKSA-N

Compound name

(E)-4-(dimethylamino)but-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2401
Patents: 129.07898 Da
Monoisotopic Mass: -2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	130.086256	127.0
[M+Na]+	152.068198	133.6
[M-H]-	128.071704	127.5
[M+NH4]+	147.112803	148.8
[M+K]+	168.042138	134.0
[M+H-H2O]+	112.076240	122.2
[M+HCOO]-	174.077181	150.8
[M+CH3COO]-	188.092831	175.1
[M+Na-2H]-	150.053646	131.8
[M]+	129.07843142	127.6
[M]-	129.07952858	127.6

Literature stripe

literature stripe

Patent stripe

patents stripe