CID 62102

N-nitrosoguvacine

Structural Information

Molecular Formula

C₆H₈N₂O₃

SMILES

C1CN(CC(=C1)C(=O)O)N=O

InChI

InChI=1S/C6H8N2O3/c9-6(10)5-2-1-3-8(4-5)7-11/h2H,1,3-4H2,(H,9,10)

InChIKey

XAZBVEFQMFZFEZ-UHFFFAOYSA-N

Compound name

1-nitroso-3,6-dihydro-2H-pyridine-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 3
Patents: 156.0535 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]+	157.06078	130.2
[M+Na]+	179.04272	140.0
[M+NH4]+	174.08732	137.0
[M+K]+	195.01666	136.1
[M-H]-	155.04622	130.4
[M+Na-2H]-	177.02817	134.9
[M]+	156.05295	131.2
[M]-	156.05405	131.2

Literature stripe

literature stripe

Patent stripe

patents stripe