CID 16085054

166182-90-7

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

CN1C(=CC=C1N)C(=O)OC

InChI

InChI=1S/C7H10N2O2/c1-9-5(7(10)11-2)3-4-6(9)8/h3-4H,8H2,1-2H3

InChIKey

CONOJFVXWDLLCO-UHFFFAOYSA-N

Compound name

methyl 5-amino-1-methylpyrrole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 154.07423 Da
Monoisotopic Mass: 0.5
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	130.5
[M+Na]+	177.063448	139.6
[M-H]-	153.066954	133.1
[M+NH4]+	172.108053	151.9
[M+K]+	193.037388	138.8
[M+H-H2O]+	137.071490	124.5
[M+HCOO]-	199.072431	155.2
[M+CH3COO]-	213.088081	177.8
[M+Na-2H]-	175.048896	134.1
[M]+	154.07368142	131.3
[M]-	154.07477858	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe