CID 10582926

1-n-cyclopropylbenzene-1,2-diamine dihydrochloride

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

C1CC1NC2=CC=CC=C2N

InChI

InChI=1S/C9H12N2/c10-8-3-1-2-4-9(8)11-7-5-6-7/h1-4,7,11H,5-6,10H2

InChIKey

SULWPWKTOPUXAS-UHFFFAOYSA-N

Compound name

2-N-cyclopropylbenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 148.10005 Da
Monoisotopic Mass: 1.8
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]+	149.10733	125.5
[M+Na]+	171.08927	134.2
[M-H]-	147.09277	132.9
[M+NH4]+	166.13387	141.3
[M+K]+	187.06321	130.8
[M+H-H2O]+	131.09731	119.1
[M+HCOO]-	193.09825	152.1
[M+CH3COO]-	207.11390	183.3
[M+Na-2H]-	169.07472	133.6
[M]+	148.09950	124.7
[M]-	148.10060	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe