CID 209572

20013-84-7

Structural Information

Molecular Formula

C₁₀H₁₆N₂O

SMILES

CC1=CC=CC=C1NCC(CN)O

InChI

InChI=1S/C10H16N2O/c1-8-4-2-3-5-10(8)12-7-9(13)6-11/h2-5,9,12-13H,6-7,11H2,1H3

InChIKey

XDXVSGHLJCMRQS-UHFFFAOYSA-N

Compound name

1-amino-3-(2-methylanilino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 180.12627 Da
Monoisotopic Mass: 1.3
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]+	181.13355	140.7
[M+Na]+	203.11549	150.6
[M+NH4]+	198.16009	148.5
[M+K]+	219.08943	145.1
[M-H]-	179.11899	143.2
[M+Na-2H]-	201.10094	146.4
[M]+	180.12572	142.5
[M]-	180.12682	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe