CID 44450

(+-)-(2-hydroxy-3-(3-methoxyphenoxy)propyl)guanidine sulfate (2:1) (salt)

Structural Information

Molecular Formula
C11H17N3O3
SMILES
C1=CC=C(C=C1)OCOCC(CN=C(N)N)O
InChI
InChI=1S/C11H17N3O3/c12-11(13)14-6-9(15)7-16-8-17-10-4-2-1-3-5-10/h1-5,9,15H,6-8H2,(H4,12,13,14)
InChIKey
LHSSPVLTZKAAFU-UHFFFAOYSA-N
Compound name
2-[2-hydroxy-3-(phenoxymethoxy)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 153.1
[M+Na]+ 262.116218 156.6
[M-H]- 238.119724 155.1
[M+NH4]+ 257.160823 168.7
[M+K]+ 278.090158 155.5
[M+H-H2O]+ 222.124260 145.2
[M+HCOO]- 284.125201 177.6
[M+CH3COO]- 298.140851 197.7
[M+Na-2H]- 260.101666 156.6
[M]+ 239.12645142 151.6
[M]- 239.12754858 151.6
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.