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

11
Patents

103.02694 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.03422 109.1
[M+Na]+ 126.01616 114.5
[M-H]- 102.01966 113.5
[M+NH4]+ 121.06076 123.5
[M+K]+ 141.99010 116.0
[M+H-H2O]+ 86.024200 103.6
[M+HCOO]- 148.02514 132.7
[M+CH3COO]- 162.04079 163.4
[M+Na-2H]- 124.00161 119.5
[M]+ 103.02639 115.9
[M]- 103.02749 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