CID 211808

23573-92-4

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

C1=CC=C(C=C1)CNCCC(=O)NO

InChI

InChI=1S/C10H14N2O2/c13-10(12-14)6-7-11-8-9-4-2-1-3-5-9/h1-5,11,14H,6-8H2,(H,12,13)

InChIKey

PFEWRCHYOZKKDK-UHFFFAOYSA-N

Compound name

3-(benzylamino)-N-hydroxypropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 194.10553 Da
Monoisotopic Mass: 0.0
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]+	195.11281	142.1
[M+Na]+	217.09475	146.9
[M-H]-	193.09825	144.0
[M+NH4]+	212.13935	159.9
[M+K]+	233.06869	144.6
[M+H-H2O]+	177.10279	135.4
[M+HCOO]-	239.10373	166.5
[M+CH3COO]-	253.11938	185.0
[M+Na-2H]-	215.08020	148.6
[M]+	194.10498	140.4
[M]-	194.10608	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe