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

14
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 150.9
[M+Na]+ 244.11688 157.1
[M+NH4]+ 239.16148 156.7
[M+K]+ 260.09082 153.4
[M-H]- 220.12038 153.9
[M+Na-2H]- 242.10233 155.1
[M]+ 221.12711 151.9
[M]- 221.12821 151.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe