CID 1512575

(s)-morpholin-2-ylmethanol

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

C1CO[C@@H](CN1)CO

InChI

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

InChIKey

VLAZLCVSFAYIIL-YFKPBYRVSA-N

Compound name

[(2S)-morpholin-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2191
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]+	118.08626	123.7
[M+Na]+	140.06820	128.8
[M-H]-	116.07170	123.0
[M+NH4]+	135.11280	141.8
[M+K]+	156.04214	128.6
[M+H-H2O]+	100.07624	117.9
[M+HCOO]-	162.07718	140.3
[M+CH3COO]-	176.09283	161.6
[M+Na-2H]-	138.05365	130.9
[M]+	117.07843	118.0
[M]-	117.07953	118.0

Literature stripe

literature stripe

Patent stripe

patents stripe