CID 80387

N-nitrosoisonipecotic acid

Structural Information

Molecular Formula

C₆H₁₀N₂O₃

SMILES

C1CN(CCC1C(=O)O)N=O

InChI

InChI=1S/C6H10N2O3/c9-6(10)5-1-3-8(7-11)4-2-5/h5H,1-4H2,(H,9,10)

InChIKey

UZAWWIOCEBCUPC-UHFFFAOYSA-N

Compound name

1-nitrosopiperidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1
Patents: 158.06914 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]+	159.07642	130.3
[M+Na]+	181.05836	136.1
[M-H]-	157.06186	132.2
[M+NH4]+	176.10296	149.2
[M+K]+	197.03230	136.3
[M+H-H2O]+	141.06640	123.8
[M+HCOO]-	203.06734	151.3
[M+CH3COO]-	217.08299	177.2
[M+Na-2H]-	179.04381	135.6
[M]+	158.06859	127.3
[M]-	158.06969	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe