CID 88255

19805-75-5

Structural Information

Molecular Formula

C₉H₁₆N₂O

SMILES

CC1(C=C(C(N1)(C)C)C(=O)N)C

InChI

InChI=1S/C9H16N2O/c1-8(2)5-6(7(10)12)9(3,4)11-8/h5,11H,1-4H3,(H2,10,12)

InChIKey

ACFYUJLIWIDSFM-UHFFFAOYSA-N

Compound name

2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 97
Patents: 168.12627 Da
Monoisotopic Mass: -0.2
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]+	169.13355	134.8
[M+Na]+	191.11549	143.6
[M-H]-	167.11899	136.1
[M+NH4]+	186.16009	159.0
[M+K]+	207.08943	141.6
[M+H-H2O]+	151.12353	131.2
[M+HCOO]-	213.12447	155.7
[M+CH3COO]-	227.14012	179.6
[M+Na-2H]-	189.10094	138.7
[M]+	168.12572	132.5
[M]-	168.12682	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe