CID 14487173

13138-75-5

Structural Information

Molecular Formula

C₇H₈N₂O₄

SMILES

CN1C(=CC=C1[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C7H8N2O4/c1-8-5(7(10)13-2)3-4-6(8)9(11)12/h3-4H,1-2H3

InChIKey

XTRZUZWXTWKINM-UHFFFAOYSA-N

Compound name

methyl 1-methyl-5-nitropyrrole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 184.0484 Da
Monoisotopic Mass: 1.0
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]+	185.05568	135.5
[M+Na]+	207.03762	146.6
[M+NH4]+	202.08222	142.1
[M+K]+	223.01156	147.2
[M-H]-	183.04112	136.2
[M+Na-2H]-	205.02307	139.3
[M]+	184.04785	136.8
[M]-	184.04895	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe