CID 22824829

111278-90-1

Structural Information

Molecular Formula

C₉H₁₉NO₂

SMILES

CC[C@H](C)[C@@H](C(=O)OC(C)C)N

InChI

InChI=1S/C9H19NO2/c1-5-7(4)8(10)9(11)12-6(2)3/h6-8H,5,10H2,1-4H3/t7-,8-/m0/s1

InChIKey

IGLFLAMJRDARAK-YUMQZZPRSA-N

Compound name

propan-2-yl (2S,3S)-2-amino-3-methylpentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 173.14159 Da
Monoisotopic Mass: 1.7
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]+	174.14887	142.1
[M+Na]+	196.13081	149.3
[M+NH4]+	191.17541	148.4
[M+K]+	212.10475	146.4
[M-H]-	172.13431	140.6
[M+Na-2H]-	194.11626	143.1
[M]+	173.14104	142.2
[M]-	173.14214	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe