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-methoxypyridin-4-yl)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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.10838 137.9
[M+Na]+ 203.09032 144.7
[M-H]- 179.09382 140.9
[M+NH4]+ 198.13492 155.9
[M+K]+ 219.06426 143.3
[M+H-H2O]+ 163.09836 130.2
[M+HCOO]- 225.09930 164.3
[M+CH3COO]- 239.11495 189.6
[M+Na-2H]- 201.07577 144.2
[M]+ 180.10055 136.0
[M]- 180.10165 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.