CID 5221300

112072-09-0

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

CC1=C(C=C(C=C1)C(=N)N)C

InChI

InChI=1S/C9H12N2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H3,10,11)

InChIKey

QQSRGYGYLVLMFU-UHFFFAOYSA-N

Compound name

3,4-dimethylbenzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 35
Patents: 148.10005 Da
Monoisotopic Mass: 2.2
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	131.9
[M+Na]+	171.08927	143.5
[M+NH4]+	166.13387	140.6
[M+K]+	187.06321	137.5
[M-H]-	147.09277	135.3
[M+Na-2H]-	169.07472	138.6
[M]+	148.09950	134.3
[M]-	148.10060	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe