CID 131201425

2-methylmorpholine-2-carbonitrile hydrochloride

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

CC1(CNCCO1)C#N

InChI

InChI=1S/C6H10N2O/c1-6(4-7)5-8-2-3-9-6/h8H,2-3,5H2,1H3

InChIKey

FOXNTVLALNNVES-UHFFFAOYSA-N

Compound name

2-methylmorpholine-2-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 126.079315 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]+	127.086591	121.9
[M+Na]+	149.068533	130.4
[M-H]-	125.072039	122.9
[M+NH4]+	144.113138	140.5
[M+K]+	165.042473	129.1
[M+H-H2O]+	109.076575	110.1
[M+HCOO]-	171.077516	136.8
[M+CH3COO]-	185.093166	179.8
[M+Na-2H]-	147.053981	130.2
[M]+	126.07876642	113.0
[M]-	126.07986358	113.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe