CID 58765287

1182827-13-9

Structural Information

Molecular Formula

C₈H₁₅NO₂

SMILES

CNC1(CCCC1)C(=O)OC

InChI

InChI=1S/C8H15NO2/c1-9-8(7(10)11-2)5-3-4-6-8/h9H,3-6H2,1-2H3

InChIKey

CLLBVZMAXCBAFJ-UHFFFAOYSA-N

Compound name

methyl 1-(methylamino)cyclopentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 157.11028 Da
Monoisotopic Mass: 0.8
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]+	158.117556	134.6
[M+Na]+	180.099498	140.3
[M-H]-	156.103004	137.8
[M+NH4]+	175.144103	158.7
[M+K]+	196.073438	140.2
[M+H-H2O]+	140.107540	129.9
[M+HCOO]-	202.108481	157.9
[M+CH3COO]-	216.124131	176.8
[M+Na-2H]-	178.084946	139.3
[M]+	157.10973142	132.9
[M]-	157.11082858	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe