CID 41466

N-nitroso-3-hydroxypiperidine

Structural Information

Molecular Formula

C₅H₁₀N₂O₂

SMILES

C1CC(CN(C1)N=O)O

InChI

InChI=1S/C5H10N2O2/c8-5-2-1-3-7(4-5)6-9/h5,8H,1-4H2

InChIKey

QCVPQZJTIBYSOX-UHFFFAOYSA-N

Compound name

1-nitrosopiperidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2
Patents: 130.07423 Da
Monoisotopic Mass: -0.5
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]+	131.081506	124.2
[M+Na]+	153.063448	130.4
[M-H]-	129.066954	126.1
[M+NH4]+	148.108053	144.4
[M+K]+	169.037388	130.5
[M+H-H2O]+	113.071490	117.9
[M+HCOO]-	175.072431	146.1
[M+CH3COO]-	189.088081	172.0
[M+Na-2H]-	151.048896	131.2
[M]+	130.07368142	120.6
[M]-	130.07477858	120.6

Literature stripe

literature stripe

Patent stripe

patents stripe