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]+ 240.134276 153.7
[M+Na]+ 262.116218 158.1
[M-H]- 238.119724 156.0
[M+NH4]+ 257.160823 169.5
[M+K]+ 278.090158 157.1
[M+H-H2O]+ 222.124260 146.0
[M+HCOO]- 284.125201 178.2
[M+CH3COO]- 298.140851 198.9
[M+Na-2H]- 260.101666 156.4
[M]+ 239.12645142 152.5
[M]- 239.12754858 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.