CID 44452

63273-92-7

Structural Information

Molecular Formula
C11H17N3O3
SMILES
COC1=CC=C(C=C1)OCC(CN=C(N)N)O
InChI
InChI=1S/C11H17N3O3/c1-16-9-2-4-10(5-3-9)17-7-8(15)6-14-11(12)13/h2-5,8,15H,6-7H2,1H3,(H4,12,13,14)
InChIKey
NYOFVCRKGVPWID-UHFFFAOYSA-N
Compound name
2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.127 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.13428 153.7
[M+Na]+ 262.11622 158.1
[M-H]- 238.11972 156.0
[M+NH4]+ 257.16082 169.5
[M+K]+ 278.09016 157.1
[M+H-H2O]+ 222.12426 146.0
[M+HCOO]- 284.12520 178.2
[M+CH3COO]- 298.14085 198.9
[M+Na-2H]- 260.10167 156.4
[M]+ 239.12645 152.5
[M]- 239.12755 152.5
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.