CID 24229673

921938-89-8

Structural Information

Molecular Formula

C₈H₁₂N₂O₂S

SMILES

C1COCCN1C2=NC=C(S2)CO

InChI

InChI=1S/C8H12N2O2S/c11-6-7-5-9-8(13-7)10-1-3-12-4-2-10/h5,11H,1-4,6H2

InChIKey

VRNQHSDSVNEOKR-UHFFFAOYSA-N

Compound name

(2-morpholin-4-yl-1,3-thiazol-5-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 200.06195 Da
Monoisotopic Mass: 0.2
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]+	201.069226	140.7
[M+Na]+	223.051168	147.9
[M-H]-	199.054674	143.9
[M+NH4]+	218.095773	157.5
[M+K]+	239.025108	146.5
[M+H-H2O]+	183.059210	133.8
[M+HCOO]-	245.060151	154.2
[M+CH3COO]-	259.075801	152.7
[M+Na-2H]-	221.036616	142.6
[M]+	200.06140142	139.6
[M]-	200.06249858	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe