CID 75481122

(1-nitrosopyrrolidin-3-yl)methanol

Structural Information

Molecular Formula

C₅H₁₀N₂O₂

SMILES

C1CN(CC1CO)N=O

InChI

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

InChIKey

KZGJDCTWVFBAPY-UHFFFAOYSA-N

Compound name

(1-nitrosopyrrolidin-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 130.07423 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]+	131.08151	125.7
[M+Na]+	153.06345	134.5
[M+NH4]+	148.10805	133.3
[M+K]+	169.03739	131.8
[M-H]-	129.06695	126.0
[M+Na-2H]-	151.04890	129.7
[M]+	130.07368	126.6
[M]-	130.07478	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.