CID 43132718

1-n-cyclopropylbenzene-1,3-diamine

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

C1CC1NC2=CC=CC(=C2)N

InChI

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

InChIKey

JULNWKHULIOPKL-UHFFFAOYSA-N

Compound name

3-N-cyclopropylbenzene-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
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]+	149.107326	125.5
[M+Na]+	171.089268	134.2
[M-H]-	147.092774	132.9
[M+NH4]+	166.133873	141.3
[M+K]+	187.063208	130.8
[M+H-H2O]+	131.097310	119.1
[M+HCOO]-	193.098251	152.1
[M+CH3COO]-	207.113901	183.3
[M+Na-2H]-	169.074716	133.6
[M]+	148.09950142	124.7
[M]-	148.10059858	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe