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

514
Patents

175.08446 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09174 133.5
[M+Na]+ 198.07368 140.2
[M-H]- 174.07718 135.9
[M+NH4]+ 193.11828 155.1
[M+K]+ 214.04762 142.0
[M+H-H2O]+ 158.08172 129.2
[M+HCOO]- 220.08266 151.8
[M+CH3COO]- 234.09831 172.2
[M+Na-2H]- 196.05913 140.5
[M]+ 175.08391 134.6
[M]- 175.08501 134.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.