CID 53998840

2490402-28-1

Structural Information

Molecular Formula

C₁₀H₁₉NO₂

SMILES

COC(=O)C(C1CCCCCC1)N

InChI

InChI=1S/C10H19NO2/c1-13-10(12)9(11)8-6-4-2-3-5-7-8/h8-9H,2-7,11H2,1H3

InChIKey

MDPXDNQCKFWWIE-UHFFFAOYSA-N

Compound name

methyl 2-amino-2-cycloheptylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 185.14159 Da
Monoisotopic Mass: 2.2
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]+	186.14887	138.2
[M+Na]+	208.13081	139.2
[M-H]-	184.13431	141.3
[M+NH4]+	203.17541	155.7
[M+K]+	224.10475	143.6
[M+H-H2O]+	168.13885	132.7
[M+HCOO]-	230.13979	156.5
[M+CH3COO]-	244.15544	185.5
[M+Na-2H]-	206.11626	139.7
[M]+	185.14104	130.4
[M]-	185.14214	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe