CID 17817718

3078-36-2

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

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

InChI

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

InChIKey

REBWUCRWJNKVLL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
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	140.5
[M+NH4]+	172.10805	139.0
[M+K]+	193.03739	139.3
[M-H]-	153.06695	131.6
[M+Na-2H]-	175.04890	135.8
[M]+	154.07368	132.9
[M]-	154.07478	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe