CID 10013772

P-hydroxyphenylethylbiguanide

Structural Information

Molecular Formula
C10H15N5O
SMILES
C1=CC(=CC=C1CCN=C(N)N=C(N)N)O
InChI
InChI=1S/C10H15N5O/c11-9(12)15-10(13)14-6-5-7-1-3-8(16)4-2-7/h1-4,16H,5-6H2,(H6,11,12,13,14,15)
InChIKey
PQASMWYEXAKHKQ-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-2-[2-(4-hydroxyphenyl)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

15
Patents

221.12766 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.13494 149.1
[M+Na]+ 244.11688 153.4
[M-H]- 220.12038 152.7
[M+NH4]+ 239.16148 165.6
[M+K]+ 260.09082 151.7
[M+H-H2O]+ 204.12492 141.0
[M+HCOO]- 266.12586 176.5
[M+CH3COO]- 280.14151 202.0
[M+Na-2H]- 242.10233 152.4
[M]+ 221.12711 143.3
[M]- 221.12821 143.3
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.