CID 20614

4515-18-8

Structural Information

Molecular Formula

C₆H₁₀N₂O₃

SMILES

C1CCN(C(C1)C(=O)O)N=O

InChI

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

InChIKey

DSGKTUVITPQPRT-UHFFFAOYSA-N

Compound name

1-nitrosopiperidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 81
Patents: 158.06914 Da
Monoisotopic Mass: 0.7
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]+	159.076416	130.3
[M+Na]+	181.058358	136.1
[M-H]-	157.061864	132.2
[M+NH4]+	176.102963	149.2
[M+K]+	197.032298	136.3
[M+H-H2O]+	141.066400	123.8
[M+HCOO]-	203.067341	151.3
[M+CH3COO]-	217.082991	177.2
[M+Na-2H]-	179.043806	135.6
[M]+	158.06859142	127.3
[M]-	158.06968858	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe