CID 11579148

63126-45-4

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

COC[C@@H]1CCCN1C=O

InChI

InChI=1S/C7H13NO2/c1-10-5-7-3-2-4-8(7)6-9/h6-7H,2-5H2,1H3/t7-/m0/s1

InChIKey

JNIOQRWRORXADR-ZETCQYMHSA-N

Compound name

(2S)-2-(methoxymethyl)pyrrolidine-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 143.09464 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]+	144.10192	129.8
[M+Na]+	166.08386	137.0
[M-H]-	142.08736	131.7
[M+NH4]+	161.12846	151.8
[M+K]+	182.05780	136.7
[M+H-H2O]+	126.09190	123.9
[M+HCOO]-	188.09284	152.1
[M+CH3COO]-	202.10849	173.0
[M+Na-2H]-	164.06931	134.0
[M]+	143.09409	129.8
[M]-	143.09519	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe