CID 165463809

3-(methoxymethyl)pyrrolidine-3-carbonitrile hydrochloride

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

COCC1(CCNC1)C#N

InChI

InChI=1S/C7H12N2O/c1-10-6-7(4-8)2-3-9-5-7/h9H,2-3,5-6H2,1H3

InChIKey

RGACVHMPBVYHKC-UHFFFAOYSA-N

Compound name

3-(methoxymethyl)pyrrolidine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 140.09496 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]+	141.102236	127.8
[M+Na]+	163.084178	136.8
[M-H]-	139.087684	128.4
[M+NH4]+	158.128783	148.7
[M+K]+	179.058118	134.0
[M+H-H2O]+	123.092220	115.9
[M+HCOO]-	185.093161	145.1
[M+CH3COO]-	199.108811	182.4
[M+Na-2H]-	161.069626	133.5
[M]+	140.09441142	120.6
[M]-	140.09550858	120.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.