CID 146155483

2416231-25-7

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

C1C2CC1OCC2(CN)O

InChI

InChI=1S/C7H13NO2/c8-3-7(9)4-10-6-1-5(7)2-6/h5-6,9H,1-4,8H2

InChIKey

JIZYKBTUTOKBSL-UHFFFAOYSA-N

Compound name

4-(aminomethyl)-2-oxabicyclo[3.1.1]heptan-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 143.09464 Da
Monoisotopic Mass: -1.1
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]+	144.101916	136.3
[M+Na]+	166.083858	141.1
[M-H]-	142.087364	134.6
[M+NH4]+	161.128463	155.0
[M+K]+	182.057798	143.8
[M+H-H2O]+	126.091900	128.1
[M+HCOO]-	188.092841	148.8
[M+CH3COO]-	202.108491	180.5
[M+Na-2H]-	164.069306	147.8
[M]+	143.09409142	145.6
[M]-	143.09518858	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.