CID 24629

Propan-2-yl 7-aminoheptanoate

Structural Information

Molecular Formula

C₁₀H₂₁NO₂

SMILES

CC(C)OC(=O)CCCCCCN

InChI

InChI=1S/C10H21NO2/c1-9(2)13-10(12)7-5-3-4-6-8-11/h9H,3-8,11H2,1-2H3

InChIKey

KJADKQLSEANQSZ-UHFFFAOYSA-N

Compound name

propan-2-yl 7-aminoheptanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 187.15723 Da
Monoisotopic Mass: 1.5
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]+	188.16451	146.0
[M+Na]+	210.14645	153.6
[M+NH4]+	205.19105	152.4
[M+K]+	226.12039	148.9
[M-H]-	186.14995	144.8
[M+Na-2H]-	208.13190	147.5
[M]+	187.15668	146.3
[M]-	187.15778	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.