CID 114532

13482-10-5

Structural Information

Molecular Formula

C₁₄H₂₄N₂

SMILES

CCC(C)NC1=CC=CC=C1NC(C)CC

InChI

InChI=1S/C14H24N2/c1-5-11(3)15-13-9-7-8-10-14(13)16-12(4)6-2/h7-12,15-16H,5-6H2,1-4H3

InChIKey

ZGDGVGVOFIGJIE-UHFFFAOYSA-N

Compound name

1-N,2-N-di(butan-2-yl)benzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1153
Patents: 220.19395 Da
Monoisotopic Mass: 4.5
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]+	221.20123	155.8
[M+Na]+	243.18317	165.9
[M+NH4]+	238.22777	164.0
[M+K]+	259.15711	159.2
[M-H]-	219.18667	159.2
[M+Na-2H]-	241.16862	161.6
[M]+	220.19340	158.0
[M]-	220.19450	158.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe