CID 66071343

2727074-23-7

Structural Information

Molecular Formula

C₁₀H₂₁NO

SMILES

CC1(CCCC(C1)(CN)OC)C

InChI

InChI=1S/C10H21NO/c1-9(2)5-4-6-10(7-9,8-11)12-3/h4-8,11H2,1-3H3

InChIKey

IPNBOPBANPXJMB-UHFFFAOYSA-N

Compound name

(1-methoxy-3,3-dimethylcyclohexyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 171.16231 Da
Monoisotopic Mass: 1.6
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]+	172.16959	139.7
[M+Na]+	194.15153	149.3
[M+NH4]+	189.19613	151.3
[M+K]+	210.12547	139.7
[M-H]-	170.15503	142.2
[M+Na-2H]-	192.13698	147.3
[M]+	171.16176	141.9
[M]-	171.16286	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.