CID 9578629

1-pyrrolidineacetic acid, ((4-chlorophenyl)methylene)hydrazide, monohydrochloride, hydrate

Structural Information

Molecular Formula

C₁₃H₁₆ClN₃O

SMILES

C1CCN(C1)CC(=O)N/N=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H16ClN3O/c14-12-5-3-11(4-6-12)9-15-16-13(18)10-17-7-1-2-8-17/h3-6,9H,1-2,7-8,10H2,(H,16,18)/b15-9+

InChIKey

MXRIPOAORIYLRJ-OQLLNIDSSA-N

Compound name

N-[(E)-(4-chlorophenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 265.09818 Da
Monoisotopic Mass: 2.4
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]+	266.105456	161.6
[M+Na]+	288.087398	167.2
[M-H]-	264.090904	167.4
[M+NH4]+	283.132003	179.1
[M+K]+	304.061338	162.7
[M+H-H2O]+	248.095440	153.4
[M+HCOO]-	310.096381	181.4
[M+CH3COO]-	324.112031	199.3
[M+Na-2H]-	286.072846	164.4
[M]+	265.09763142	160.8
[M]-	265.09872858	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.