CID 10997122

Ethyl 2-aminopent-4-ynoate hydrochloride

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

CCOC(=O)C(CC#C)N

InChI

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

InChIKey

KDXHMSSQTZYIIZ-UHFFFAOYSA-N

Compound name

ethyl 2-aminopent-4-ynoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
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]+	142.086256	131.0
[M+Na]+	164.068198	139.2
[M-H]-	140.071704	130.3
[M+NH4]+	159.112803	149.7
[M+K]+	180.042138	138.5
[M+H-H2O]+	124.076240	120.2
[M+HCOO]-	186.077181	148.1
[M+CH3COO]-	200.092831	185.3
[M+Na-2H]-	162.053646	133.7
[M]+	141.07843142	125.7
[M]-	141.07952858	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe