CID 19862192

3-nitrooxolane

Structural Information

Molecular Formula
C4H7NO3
SMILES
C1COCC1[N+](=O)[O-]
InChI
InChI=1S/C4H7NO3/c6-5(7)4-1-2-8-3-4/h4H,1-3H2
InChIKey
PVFMRQLZRAMTQL-UHFFFAOYSA-N
Compound name
3-nitrooxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

117.042595 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.049871 120.5
[M+Na]+ 140.031813 126.7
[M-H]- 116.035319 124.5
[M+NH4]+ 135.076418 142.3
[M+K]+ 156.005753 124.3
[M+H-H2O]+ 100.039855 120.4
[M+HCOO]- 162.040796 144.9
[M+CH3COO]- 176.056446 160.4
[M+Na-2H]- 138.017261 129.1
[M]+ 117.04204642 117.3
[M]- 117.04314358 117.3
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

patents stripe