CID 214300

264cf

Structural Information

Molecular Formula

C₁₂H₁₅ClN₂O₂

SMILES

C=CCOC1=C(C=CC(=C1)Cl)C(=O)NCCN

InChI

InChI=1S/C12H15ClN2O2/c1-2-7-17-11-8-9(13)3-4-10(11)12(16)15-6-5-14/h2-4,8H,1,5-7,14H2,(H,15,16)

InChIKey

HYTTWQBLBHRHMF-UHFFFAOYSA-N

Compound name

N-(2-aminoethyl)-4-chloro-2-prop-2-enoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 254.0822 Da
Monoisotopic Mass: 2.0
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]+	255.089476	157.1
[M+Na]+	277.071418	164.4
[M-H]-	253.074924	160.1
[M+NH4]+	272.116023	174.4
[M+K]+	293.045358	159.6
[M+H-H2O]+	237.079460	151.3
[M+HCOO]-	299.080401	177.4
[M+CH3COO]-	313.096051	198.2
[M+Na-2H]-	275.056866	159.9
[M]+	254.08165142	159.1
[M]-	254.08274858	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe