CID 32850

Dl-hpg

Structural Information

Molecular Formula

C₉H₁₃N₃O

SMILES

C1=CC=C(C=C1)C(CN=C(N)N)O

InChI

InChI=1S/C9H13N3O/c10-9(11)12-6-8(13)7-4-2-1-3-5-7/h1-5,8,13H,6H2,(H4,10,11,12)

InChIKey

ILXQCMPIHOQKNL-UHFFFAOYSA-N

Compound name

2-(2-hydroxy-2-phenylethyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 179.10587 Da
Monoisotopic Mass: -0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	180.11315	139.9
[M+Na]+	202.09509	148.2
[M+NH4]+	197.13969	147.1
[M+K]+	218.06903	143.9
[M-H]-	178.09859	142.4
[M+Na-2H]-	200.08054	145.3
[M]+	179.10532	141.3
[M]-	179.10642	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe