CID 54149

78205-29-5

Structural Information

Molecular Formula

C₁₁H₁₃N₃O

SMILES

C1CC(=NC1)NNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C11H13N3O/c15-11(9-5-2-1-3-6-9)14-13-10-7-4-8-12-10/h1-3,5-6H,4,7-8H2,(H,12,13)(H,14,15)

InChIKey

FRBGBWIKHGXGJC-UHFFFAOYSA-N

Compound name

N'-(3,4-dihydro-2H-pyrrol-5-yl)benzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 203.10587 Da
Monoisotopic Mass: 0.7
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]+	204.11315	145.9
[M+Na]+	226.09509	155.9
[M+NH4]+	221.13969	153.9
[M+K]+	242.06903	151.7
[M-H]-	202.09859	149.6
[M+Na-2H]-	224.08054	153.6
[M]+	203.10532	148.0
[M]-	203.10642	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe