CID 21303779

Methyl 1-(methylamino)cyclohexane-1-carboxylate

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

CNC1(CCCCC1)C(=O)OC

InChI

InChI=1S/C9H17NO2/c1-10-9(8(11)12-2)6-4-3-5-7-9/h10H,3-7H2,1-2H3

InChIKey

VVFFJVYBIIFJOA-UHFFFAOYSA-N

Compound name

methyl 1-(methylamino)cyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 171.12593 Da
Monoisotopic Mass: 1.3
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]+	172.13321	139.6
[M+Na]+	194.11515	148.4
[M+NH4]+	189.15975	149.0
[M+K]+	210.08909	141.3
[M-H]-	170.11865	141.2
[M+Na-2H]-	192.10060	145.4
[M]+	171.12538	141.1
[M]-	171.12648	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe