CID 13153909

3-nitrooxetane

Structural Information

Molecular Formula
C3H5NO3
SMILES
C1C(CO1)[N+](=O)[O-]
InChI
InChI=1S/C3H5NO3/c5-4(6)3-1-7-2-3/h3H,1-2H2
InChIKey
VLRGTMVEHGHHHW-UHFFFAOYSA-N
Compound name
3-nitrooxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

103.02694 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.034216 109.1
[M+Na]+ 126.016158 114.5
[M-H]- 102.019664 113.5
[M+NH4]+ 121.060763 123.5
[M+K]+ 141.990098 116.0
[M+H-H2O]+ 86.024200 103.6
[M+HCOO]- 148.025141 132.7
[M+CH3COO]- 162.040791 163.4
[M+Na-2H]- 124.001606 119.5
[M]+ 103.02639142 115.9
[M]- 103.02748858 115.9
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