CID 60030535

37557-98-5

Structural Information

Molecular Formula

C₁₁H₁₇N₅

SMILES

CC(C)N=C(N)N=C(N)NC1=CC=CC=C1

InChI

InChI=1S/C11H17N5/c1-8(2)14-10(12)16-11(13)15-9-6-4-3-5-7-9/h3-8H,1-2H3,(H5,12,13,14,15,16)

InChIKey

MBJBAEJPGXZCJH-UHFFFAOYSA-N

Compound name

1-[amino(anilino)methylidene]-2-propan-2-ylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 219.14839 Da
Monoisotopic Mass: 0.9
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]+	220.15567	153.3
[M+Na]+	242.13761	159.9
[M+NH4]+	237.18221	160.0
[M+K]+	258.11155	155.4
[M-H]-	218.14111	157.2
[M+Na-2H]-	240.12306	158.6
[M]+	219.14784	154.7
[M]-	219.14894	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe