CID 6433955

26227-98-5

Structural Information

Molecular Formula

C₁₂H₁₄ClNO₃

SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)NO)Cl

InChI

InChI=1S/C12H14ClNO3/c1-2-7-17-11-5-3-9(8-10(11)13)4-6-12(15)14-16/h3-6,8,16H,2,7H2,1H3,(H,14,15)/b6-4+

InChIKey

VJMGTIWUJWAAPO-GQCTYLIASA-N

Compound name

(E)-3-(3-chloro-4-propoxyphenyl)-N-hydroxyprop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.06622 Da
Monoisotopic Mass: 2.6
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]+	256.073496	155.1
[M+Na]+	278.055438	162.9
[M-H]-	254.058944	157.4
[M+NH4]+	273.100043	172.4
[M+K]+	294.029378	158.2
[M+H-H2O]+	238.063480	149.9
[M+HCOO]-	300.064421	173.8
[M+CH3COO]-	314.080071	192.7
[M+Na-2H]-	276.040886	158.4
[M]+	255.06567142	158.4
[M]-	255.06676858	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.