CID 28673224

2305252-69-9

Structural Information

Molecular Formula

C₁₁H₂₃NO

SMILES

COCCCNC1CCCCCC1

InChI

InChI=1S/C11H23NO/c1-13-10-6-9-12-11-7-4-2-3-5-8-11/h11-12H,2-10H2,1H3

InChIKey

MOCXHHFQYOTIDQ-UHFFFAOYSA-N

Compound name

N-(3-methoxypropyl)cycloheptanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 185.17796 Da
Monoisotopic Mass: 2.4
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]+	186.185236	140.7
[M+Na]+	208.167178	141.3
[M-H]-	184.170684	143.7
[M+NH4]+	203.211783	158.4
[M+K]+	224.141118	144.5
[M+H-H2O]+	168.175220	134.8
[M+HCOO]-	230.176161	160.6
[M+CH3COO]-	244.191811	187.0
[M+Na-2H]-	206.152626	144.8
[M]+	185.17741142	134.6
[M]-	185.17850858	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe