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

8
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 120.5
[M+Na]+ 140.03181 126.7
[M-H]- 116.03532 124.5
[M+NH4]+ 135.07642 142.3
[M+K]+ 156.00575 124.3
[M+H-H2O]+ 100.03986 120.4
[M+HCOO]- 162.04080 144.9
[M+CH3COO]- 176.05645 160.4
[M+Na-2H]- 138.01726 129.1
[M]+ 117.04205 117.3
[M]- 117.04314 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