CID 142984

Pro-val

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₃

SMILES

CC(C)C(C(=O)O)NC(=O)C1CCCN1

InChI

InChI=1S/C10H18N2O3/c1-6(2)8(10(14)15)12-9(13)7-4-3-5-11-7/h6-8,11H,3-5H2,1-2H3,(H,12,13)(H,14,15)

InChIKey

AWJGUZSYVIVZGP-UHFFFAOYSA-N

Compound name

3-methyl-2-(pyrrolidine-2-carbonylamino)butanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 14
References: 3686
Patents: 214.13174 Da
Monoisotopic Mass: -2.9
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]+	215.13902	152.1
[M+Na]+	237.12096	154.5
[M-H]-	213.12446	150.7
[M+NH4]+	232.16556	168.7
[M+K]+	253.09490	153.6
[M+H-H2O]+	197.12900	145.6
[M+HCOO]-	259.12994	167.8
[M+CH3COO]-	273.14559	185.0
[M+Na-2H]-	235.10641	149.9
[M]+	214.13119	146.3
[M]-	214.13229	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe