CID 13285793

99092-04-3

Structural Information

Molecular Formula

C₉H₁₇NO₂

SMILES

COC(=O)C1(CCCCC1)CN

InChI

InChI=1S/C9H17NO2/c1-12-8(11)9(7-10)5-3-2-4-6-9/h2-7,10H2,1H3

InChIKey

ACVKFIYOVXQWEM-UHFFFAOYSA-N

Compound name

methyl 1-(aminomethyl)cyclohexane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 171.12593 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]+	172.13321	139.6
[M+Na]+	194.11515	148.2
[M+NH4]+	189.15975	148.9
[M+K]+	210.08909	141.3
[M-H]-	170.11865	141.1
[M+Na-2H]-	192.10060	145.0
[M]+	171.12538	141.0
[M]-	171.12648	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe