CID 1514268

(s)-3-hydroxymethylmorpholine

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

C1COC[C@@H](N1)CO

InChI

InChI=1S/C5H11NO2/c7-3-5-4-8-2-1-6-5/h5-7H,1-4H2/t5-/m0/s1

InChIKey

UCDFBOLUCCNTDQ-YFKPBYRVSA-N

Compound name

[(3S)-morpholin-3-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1366
Patents: 117.07898 Da
Monoisotopic Mass: -1.2
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]+	118.086256	123.7
[M+Na]+	140.068198	128.8
[M-H]-	116.071704	123.0
[M+NH4]+	135.112803	141.8
[M+K]+	156.042138	128.6
[M+H-H2O]+	100.076240	117.9
[M+HCOO]-	162.077181	140.3
[M+CH3COO]-	176.092831	161.6
[M+Na-2H]-	138.053646	130.9
[M]+	117.07843142	118.0
[M]-	117.07952858	118.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe