CID 122584

32321-30-5

Structural Information

Molecular Formula

C₁₂H₂₀N₂

SMILES

CC1=C(C(=C(C(=C1CN)C)C)CN)C

InChI

InChI=1S/C12H20N2/c1-7-8(2)12(6-14)10(4)9(3)11(7)5-13/h5-6,13-14H2,1-4H3

InChIKey

BQBSCHUAHABRME-UHFFFAOYSA-N

Compound name

[4-(aminomethyl)-2,3,5,6-tetramethylphenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 68
Patents: 192.16264 Da
Monoisotopic Mass: 1.1
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]+	193.169916	145.9
[M+Na]+	215.151858	155.1
[M-H]-	191.155364	149.8
[M+NH4]+	210.196463	165.9
[M+K]+	231.125798	151.8
[M+H-H2O]+	175.159900	140.4
[M+HCOO]-	237.160841	170.2
[M+CH3COO]-	251.176491	194.9
[M+Na-2H]-	213.137306	147.3
[M]+	192.16209142	145.3
[M]-	192.16318858	145.3

Literature stripe

literature stripe

Patent stripe

patents stripe