CID 125208

65445-62-7

Structural Information

Molecular Formula

C₆H₁₀N₂O₃

SMILES

C1CC(CN(C1)N=O)C(=O)O

InChI

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

InChIKey

YGOAQYQGTQBALO-UHFFFAOYSA-N

Compound name

1-nitrosopiperidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 15
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	131.8
[M+Na]+	181.05836	140.7
[M+NH4]+	176.10296	138.6
[M+K]+	197.03230	137.0
[M-H]-	157.06186	131.9
[M+Na-2H]-	179.04381	135.6
[M]+	158.06859	132.6
[M]-	158.06969	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe