CID 14774300

5-chloro-2-hydroxypyrazine

Structural Information

Molecular Formula

C₄H₃ClN₂O

SMILES

C1=C(N=CC(=O)N1)Cl

InChI

InChI=1S/C4H3ClN2O/c5-3-1-7-4(8)2-6-3/h1-2H,(H,7,8)

InChIKey

MPQIKXKJHKXJQC-UHFFFAOYSA-N

Compound name

5-chloro-1H-pyrazin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 107
Patents: 129.9934 Da
Monoisotopic Mass: 0.1
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]+	131.000676	117.9
[M+Na]+	152.982618	128.9
[M-H]-	128.986124	117.9
[M+NH4]+	148.027223	137.6
[M+K]+	168.956558	125.2
[M+H-H2O]+	112.990660	112.4
[M+HCOO]-	174.991601	135.7
[M+CH3COO]-	189.007251	165.2
[M+Na-2H]-	150.968066	127.2
[M]+	129.99285142	118.0
[M]-	129.99394858	118.0

Literature stripe

literature stripe

Patent stripe

patents stripe