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]+ 118.04987 119.5
[M+Na]+ 140.03181 130.1
[M+NH4]+ 135.07642 128.2
[M+K]+ 156.00575 130.1
[M-H]- 116.03532 123.0
[M+Na-2H]- 138.01726 123.7
[M]+ 117.04205 121.7
[M]- 117.04314 121.7
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

patents stripe