CID 22484521

252854-21-0

Structural Information

Molecular Formula

C₁₀H₂₁NO

SMILES

COCCNC1CCCCCC1

InChI

InChI=1S/C10H21NO/c1-12-9-8-11-10-6-4-2-3-5-7-10/h10-11H,2-9H2,1H3

InChIKey

PBBBLFGDZLEXBK-UHFFFAOYSA-N

Compound name

N-(2-methoxyethyl)cycloheptanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 171.16231 Da
Monoisotopic Mass: 2.0
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	136.3
[M+Na]+	194.15153	137.3
[M-H]-	170.15503	139.5
[M+NH4]+	189.19613	154.6
[M+K]+	210.12547	140.8
[M+H-H2O]+	154.15957	130.6
[M+HCOO]-	216.16051	156.5
[M+CH3COO]-	230.17616	184.1
[M+Na-2H]-	192.13698	141.0
[M]+	171.16176	129.9
[M]-	171.16286	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe