CID 14577890

2-amino-3-(1h-pyrrol-3-yl)propanoic acid

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

C1=CNC=C1CC(C(=O)O)N

InChI

InChI=1S/C7H10N2O2/c8-6(7(10)11)3-5-1-2-9-4-5/h1-2,4,6,9H,3,8H2,(H,10,11)

InChIKey

SDMNFUKYUGGKNV-UHFFFAOYSA-N

Compound name

2-amino-3-(1H-pyrrol-3-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 154.07423 Da
Monoisotopic Mass: -2.6
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]+	155.08151	132.8
[M+Na]+	177.06345	138.8
[M-H]-	153.06695	131.9
[M+NH4]+	172.10805	151.9
[M+K]+	193.03739	136.7
[M+H-H2O]+	137.07149	126.6
[M+HCOO]-	199.07243	153.4
[M+CH3COO]-	213.08808	172.0
[M+Na-2H]-	175.04890	135.5
[M]+	154.07368	128.4
[M]-	154.07478	128.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe