CID 2735636

77716-11-1

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₄

SMILES

CC(C)(C)OC(=O)NC1=CN(C(=C1)C(=O)O)C

InChI

InChI=1S/C11H16N2O4/c1-11(2,3)17-10(16)12-7-5-8(9(14)15)13(4)6-7/h5-6H,1-4H3,(H,12,16)(H,14,15)

InChIKey

GOLAEMFBWAIGRX-UHFFFAOYSA-N

Compound name

1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 304
Patents: 240.11101 Da
Monoisotopic Mass: 1.1
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]+	241.11829	154.0
[M+Na]+	263.10023	161.3
[M+NH4]+	258.14483	158.5
[M+K]+	279.07417	161.4
[M-H]-	239.10373	151.7
[M+Na-2H]-	261.08568	155.7
[M]+	240.11046	153.9
[M]-	240.11156	153.9

Literature stripe

literature stripe

Patent stripe

patents stripe