CID 73193609

4-hydroxygalegine

Structural Information

Molecular Formula

C₆H₁₃N₃O

SMILES

CC(=CCN=C(N)N)CO

InChI

InChI=1S/C6H13N3O/c1-5(4-10)2-3-9-6(7)8/h2,10H,3-4H2,1H3,(H4,7,8,9)

InChIKey

YEVAUEKXKYEZAL-UHFFFAOYSA-N

Compound name

2-(4-hydroxy-3-methylbut-2-enyl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 143.10587 Da
Monoisotopic Mass: -0.9
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]+	144.113146	133.1
[M+Na]+	166.095088	138.0
[M-H]-	142.098594	132.4
[M+NH4]+	161.139693	153.0
[M+K]+	182.069028	137.2
[M+H-H2O]+	126.103130	127.3
[M+HCOO]-	188.104071	157.2
[M+CH3COO]-	202.119721	181.2
[M+Na-2H]-	164.080536	135.9
[M]+	143.10532142	128.3
[M]-	143.10641858	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe