CID 3748656

2-(2-nitroethoxy)tetrahydropyran

Structural Information

Molecular Formula
C7H13NO4
SMILES
C1CCOC(C1)OCC[N+](=O)[O-]
InChI
InChI=1S/C7H13NO4/c9-8(10)4-6-12-7-3-1-2-5-11-7/h7H,1-6H2
InChIKey
KQDXRRAVDLIMGM-UHFFFAOYSA-N
Compound name
2-(2-nitroethoxy)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

175.08446 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09174 136.4
[M+Na]+ 198.07368 140.3
[M-H]- 174.07718 139.7
[M+NH4]+ 193.11828 154.0
[M+K]+ 214.04762 137.7
[M+H-H2O]+ 158.08172 135.0
[M+HCOO]- 220.08266 158.0
[M+CH3COO]- 234.09831 171.9
[M+Na-2H]- 196.05913 144.5
[M]+ 175.08391 133.7
[M]- 175.08501 133.7
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.