CID 62389298

1-(1,4-diazepan-1-yl)cyclobutane-1-carboxylic acid dihydrochloride

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₂

SMILES

C1CC(C1)(C(=O)O)N2CCCNCC2

InChI

InChI=1S/C10H18N2O2/c13-9(14)10(3-1-4-10)12-7-2-5-11-6-8-12/h11H,1-8H2,(H,13,14)

InChIKey

XPRVSOFSUYEILO-UHFFFAOYSA-N

Compound name

1-(1,4-diazepan-1-yl)cyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 198.13683 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]+	199.144106	146.1
[M+Na]+	221.126048	147.1
[M-H]-	197.129554	147.2
[M+NH4]+	216.170653	155.2
[M+K]+	237.099988	150.5
[M+H-H2O]+	181.134090	134.6
[M+HCOO]-	243.135031	157.9
[M+CH3COO]-	257.150681	182.9
[M+Na-2H]-	219.111496	148.6
[M]+	198.13628142	143.9
[M]-	198.13737858	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.