CID 2736812

20680-59-5

Structural Information

Molecular Formula

C₈H₁₀N₂

SMILES

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

InChI

InChI=1S/C8H10N2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H3,9,10)

InChIKey

XRCSYMVDLYGKTE-UHFFFAOYSA-N

Compound name

3-methylbenzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 434
Patents: 134.0844 Da
Monoisotopic Mass: 1.3
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]+	135.09168	127.6
[M+Na]+	157.07362	139.0
[M+NH4]+	152.11822	136.4
[M+K]+	173.04756	133.0
[M-H]-	133.07712	130.9
[M+Na-2H]-	155.05907	134.8
[M]+	134.08385	129.9
[M]-	134.08495	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe