CID 62120

5-hydroxymethoxymethyl-1-aza-3,7-dioxabicyclo(3.3.0)octane

Structural Information

Molecular Formula

C₇H₁₃NO₄

SMILES

C1C2(COCN2CO1)COCO

InChI

InChI=1S/C7H13NO4/c9-6-12-3-7-1-10-4-8(7)5-11-2-7/h9H,1-6H2

InChIKey

LOOVHMYLQJKYRI-UHFFFAOYSA-N

Compound name

1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-ylmethoxymethanol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 528
Patents: 175.08446 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]+	176.091736	133.5
[M+Na]+	198.073678	140.2
[M-H]-	174.077184	135.9
[M+NH4]+	193.118283	155.1
[M+K]+	214.047618	142.0
[M+H-H2O]+	158.081720	129.2
[M+HCOO]-	220.082661	151.8
[M+CH3COO]-	234.098311	172.2
[M+Na-2H]-	196.059126	140.5
[M]+	175.08391142	134.6
[M]-	175.08500858	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe