CID 137944351

2490430-21-0

Structural Information

Molecular Formula

C₈H₁₃NO₃

SMILES

C1C2(CC1(C3(O2)COC3)N)CO

InChI

InChI=1S/C8H13NO3/c9-7-1-6(2-7,3-10)12-8(7)4-11-5-8/h10H,1-5,9H2

InChIKey

ZPQZPPOPZXIANV-UHFFFAOYSA-N

Compound name

(4-aminospiro[2-oxabicyclo[2.1.1]hexane-3,3'-oxetane]-1-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 171.08954 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]+	172.096816	138.5
[M+Na]+	194.078758	142.8
[M-H]-	170.082264	142.7
[M+NH4]+	189.123363	153.5
[M+K]+	210.052698	147.5
[M+H-H2O]+	154.086800	130.5
[M+HCOO]-	216.087741	152.0
[M+CH3COO]-	230.103391	190.7
[M+Na-2H]-	192.064206	147.9
[M]+	171.08899142	157.8
[M]-	171.09008858	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.