CID 131033376

1379445-19-8

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

COC(=O)[C@H](CCC#C)N

InChI

InChI=1S/C7H11NO2/c1-3-4-5-6(8)7(9)10-2/h1,6H,4-5,8H2,2H3/t6-/m0/s1

InChIKey

CKXQBVBKCXXYRU-LURJTMIESA-N

Compound name

methyl (2S)-2-aminohex-5-ynoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 141.07898 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]+	142.08626	130.8
[M+Na]+	164.06820	139.2
[M+NH4]+	159.11280	134.1
[M+K]+	180.04214	132.4
[M-H]-	140.07170	121.9
[M+Na-2H]-	162.05365	130.7
[M]+	141.07843	128.3
[M]-	141.07953	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe