CID 19313

3663-23-8

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

CCCCC1=CC(=C(C=C1)N)N

InChI

InChI=1S/C10H16N2/c1-2-3-4-8-5-6-9(11)10(12)7-8/h5-7H,2-4,11-12H2,1H3

InChIKey

WQEGHHLKDKIWKM-UHFFFAOYSA-N

Compound name

4-butylbenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 55
Patents: 164.13135 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]+	165.13863	136.9
[M+Na]+	187.12057	144.2
[M-H]-	163.12407	139.9
[M+NH4]+	182.16517	157.1
[M+K]+	203.09451	141.2
[M+H-H2O]+	147.12861	131.0
[M+HCOO]-	209.12955	161.9
[M+CH3COO]-	223.14520	185.1
[M+Na-2H]-	185.10602	141.6
[M]+	164.13080	134.5
[M]-	164.13190	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe