CID 86036

Usaf la-3

Structural Information

Molecular Formula

C₉H₁₃ClN₂

SMILES

CC(CC1=CC(=CC=C1)Cl)NN

InChI

InChI=1S/C9H13ClN2/c1-7(12-11)5-8-3-2-4-9(10)6-8/h2-4,6-7,12H,5,11H2,1H3

InChIKey

OBRDCSSSDNLWTA-UHFFFAOYSA-N

Compound name

1-(3-chlorophenyl)propan-2-ylhydrazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 184.07672 Da
Monoisotopic Mass: 2.1
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]+	185.083996	139.8
[M+Na]+	207.065938	146.9
[M-H]-	183.069444	142.8
[M+NH4]+	202.110543	159.8
[M+K]+	223.039878	142.9
[M+H-H2O]+	167.073980	134.6
[M+HCOO]-	229.074921	160.2
[M+CH3COO]-	243.090571	186.2
[M+Na-2H]-	205.051386	144.9
[M]+	184.07617142	138.9
[M]-	184.07726858	138.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe