CID 12349572

Mfcd35558346

Structural Information

Molecular Formula

C₆H₁₂N₂O₂

SMILES

COC[C@@H]1CCCN1N=O

InChI

InChI=1S/C6H12N2O2/c1-10-5-6-3-2-4-8(6)7-9/h6H,2-5H2,1H3/t6-/m0/s1

InChIKey

YMPKSYGQQWVDMM-LURJTMIESA-N

Compound name

(2S)-2-(methoxymethyl)-1-nitrosopyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 144.08987 Da
Monoisotopic Mass: 0.6
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]+	145.09715	128.0
[M+Na]+	167.07909	135.2
[M-H]-	143.08259	131.4
[M+NH4]+	162.12369	150.3
[M+K]+	183.05303	135.9
[M+H-H2O]+	127.08713	121.5
[M+HCOO]-	189.08807	153.2
[M+CH3COO]-	203.10372	177.5
[M+Na-2H]-	165.06454	133.7
[M]+	144.08932	128.8
[M]-	144.09042	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.