CID 14504235

Methyl 2-aminohept-6-enoate

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

COC(=O)C(CCCC=C)N

InChI

InChI=1S/C8H15NO2/c1-3-4-5-6-7(9)8(10)11-2/h3,7H,1,4-6,9H2,2H3

InChIKey

OXRDQNUTJYSPSW-UHFFFAOYSA-N

Compound name

methyl 2-aminohept-6-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 157.11028 Da
Monoisotopic Mass: 1.1
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]+	158.11756	136.9
[M+Na]+	180.09950	142.6
[M-H]-	156.10300	136.5
[M+NH4]+	175.14410	157.3
[M+K]+	196.07344	142.1
[M+H-H2O]+	140.10754	131.7
[M+HCOO]-	202.10848	159.3
[M+CH3COO]-	216.12413	180.5
[M+Na-2H]-	178.08495	139.5
[M]+	157.10973	137.2
[M]-	157.11083	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.