CID 6538733

4-(propan-2-yl)benzene-1-carboximidamide hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

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

InChI

InChI=1S/C10H14N2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H3,11,12)

InChIKey

GIJOFUJDYGKZGG-UHFFFAOYSA-N

Compound name

4-propan-2-ylbenzenecarboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 162.11569 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]+	163.122966	136.7
[M+Na]+	185.104908	142.7
[M-H]-	161.108414	140.0
[M+NH4]+	180.149513	156.6
[M+K]+	201.078848	140.5
[M+H-H2O]+	145.112950	130.7
[M+HCOO]-	207.113891	160.5
[M+CH3COO]-	221.129541	185.4
[M+Na-2H]-	183.090356	140.6
[M]+	162.11514142	132.8
[M]-	162.11623858	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe