CID 230580

3-indolepropionic acid hydrazide

Structural Information

Molecular Formula

C₁₁H₁₃N₃O

SMILES

C1=CC=C2C(=C1)C(=CN2)CCC(=O)NN

InChI

InChI=1S/C11H13N3O/c12-14-11(15)6-5-8-7-13-10-4-2-1-3-9(8)10/h1-4,7,13H,5-6,12H2,(H,14,15)

InChIKey

ORDWJFLEEAHMJF-UHFFFAOYSA-N

Compound name

3-(1H-indol-3-yl)propanehydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 42
Patents: 203.10587 Da
Monoisotopic Mass: 0.8
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]+	204.113146	142.4
[M+Na]+	226.095088	150.2
[M-H]-	202.098594	144.3
[M+NH4]+	221.139693	161.6
[M+K]+	242.069028	146.0
[M+H-H2O]+	186.103130	135.6
[M+HCOO]-	248.104071	166.6
[M+CH3COO]-	262.119721	186.3
[M+Na-2H]-	224.080536	148.9
[M]+	203.10532142	140.7
[M]-	203.10641858	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe