CID 43180514

1038272-21-7

Structural Information

Molecular Formula

C₁₀H₁₉NO

SMILES

COCCNCC1CCC=CC1

InChI

InChI=1S/C10H19NO/c1-12-8-7-11-9-10-5-3-2-4-6-10/h2-3,10-11H,4-9H2,1H3

InChIKey

CYEFLNUFKGQJKB-UHFFFAOYSA-N

Compound name

N-(cyclohex-3-en-1-ylmethyl)-2-methoxyethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 169.14667 Da
Monoisotopic Mass: 1.4
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]+	170.15395	139.2
[M+Na]+	192.13589	143.1
[M-H]-	168.13939	141.6
[M+NH4]+	187.18049	159.1
[M+K]+	208.10983	141.9
[M+H-H2O]+	152.14393	132.8
[M+HCOO]-	214.14487	161.7
[M+CH3COO]-	228.16052	181.9
[M+Na-2H]-	190.12134	145.1
[M]+	169.14612	137.2
[M]-	169.14722	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.