CID 19030889

4-(methylamino)butane-1,3-diol

Structural Information

Molecular Formula

C₅H₁₃NO₂

SMILES

CNCC(CCO)O

InChI

InChI=1S/C5H13NO2/c1-6-4-5(8)2-3-7/h5-8H,2-4H2,1H3

InChIKey

XWTKYMIJXXGNHP-UHFFFAOYSA-N

Compound name

4-(methylamino)butane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 119.09463 Da
Monoisotopic Mass: -1.1
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]+	120.10191	124.7
[M+Na]+	142.08385	132.7
[M+NH4]+	137.12845	131.7
[M+K]+	158.05779	128.9
[M-H]-	118.08735	123.2
[M+Na-2H]-	140.06930	127.2
[M]+	119.09408	125.0
[M]-	119.09518	125.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe