CID 12879

Guanidine, ((p-methylbenzyl)oxy)-, nitrate

Structural Information

Molecular Formula

C₉H₁₃N₃O

SMILES

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

InChI

InChI=1S/C9H13N3O/c1-7-2-4-8(5-3-7)6-13-12-9(10)11/h2-5H,6H2,1H3,(H4,10,11,12)

InChIKey

DNUHQHDGEURGIU-UHFFFAOYSA-N

Compound name

2-[(4-methylphenyl)methoxy]guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 179.10587 Da
Monoisotopic Mass: 1.0
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]+	180.11315	139.1
[M+Na]+	202.09509	148.7
[M+NH4]+	197.13969	146.8
[M+K]+	218.06903	143.4
[M-H]-	178.09859	142.4
[M+Na-2H]-	200.08054	145.3
[M]+	179.10532	141.0
[M]-	179.10642	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe