CID 82668016

2171898-35-2

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

COC1=C(C(=O)NC=C1)CN

InChI

InChI=1S/C7H10N2O2/c1-11-6-2-3-9-7(10)5(6)4-8/h2-3H,4,8H2,1H3,(H,9,10)

InChIKey

VMROQIJUGARSEE-UHFFFAOYSA-N

Compound name

3-(aminomethyl)-4-methoxy-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 154.07423 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]+	155.081506	129.4
[M+Na]+	177.063448	138.5
[M-H]-	153.066954	130.5
[M+NH4]+	172.108053	148.3
[M+K]+	193.037388	136.0
[M+H-H2O]+	137.071490	123.3
[M+HCOO]-	199.072431	152.8
[M+CH3COO]-	213.088081	175.1
[M+Na-2H]-	175.048896	136.0
[M]+	154.07368142	128.4
[M]-	154.07477858	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe