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]+ 240.13428 153.1
[M+Na]+ 262.11622 156.6
[M-H]- 238.11972 155.1
[M+NH4]+ 257.16082 168.7
[M+K]+ 278.09016 155.5
[M+H-H2O]+ 222.12426 145.2
[M+HCOO]- 284.12520 177.6
[M+CH3COO]- 298.14085 197.7
[M+Na-2H]- 260.10167 156.6
[M]+ 239.12645 151.6
[M]- 239.12755 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.