CID 36995517

802541-81-7

Structural Information

Molecular Formula

C₁₂H₁₉N₃O

SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)N)CO

InChI

InChI=1S/C12H19N3O/c1-14-4-6-15(7-5-14)12-3-2-11(13)8-10(12)9-16/h2-3,8,16H,4-7,9,13H2,1H3

InChIKey

RJIWXFXUGNZHKX-UHFFFAOYSA-N

Compound name

[5-amino-2-(4-methylpiperazin-1-yl)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 221.15282 Da
Monoisotopic Mass: 0.3
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]+	222.16010	153.1
[M+Na]+	244.14204	159.1
[M-H]-	220.14554	154.9
[M+NH4]+	239.18664	167.7
[M+K]+	260.11598	155.1
[M+H-H2O]+	204.15008	144.6
[M+HCOO]-	266.15102	170.3
[M+CH3COO]-	280.16667	189.6
[M+Na-2H]-	242.12749	155.9
[M]+	221.15227	147.3
[M]-	221.15337	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe