CID 62405522

1864051-86-4

Structural Information

Molecular Formula

C₈H₁₂N₄O

SMILES

COC1=NC=CC(=C1)CN=C(N)N

InChI

InChI=1S/C8H12N4O/c1-13-7-4-6(2-3-11-7)5-12-8(9)10/h2-4H,5H2,1H3,(H4,9,10,12)

InChIKey

MQMJOFPHEKFWKP-UHFFFAOYSA-N

Compound name

2-[(2-methoxy-4-pyridinyl)methyl]guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 180.1011 Da
Monoisotopic Mass: -0.4
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]+	181.108376	137.9
[M+Na]+	203.090318	144.7
[M-H]-	179.093824	140.9
[M+NH4]+	198.134923	155.9
[M+K]+	219.064258	143.3
[M+H-H2O]+	163.098360	130.2
[M+HCOO]-	225.099301	164.3
[M+CH3COO]-	239.114951	189.6
[M+Na-2H]-	201.075766	144.2
[M]+	180.10055142	136.0
[M]-	180.10164858	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.