CID 101883105

3-(1-nitroethylidene)oxetane

Structural Information

Molecular Formula
C5H7NO3
SMILES
CC(=C1COC1)[N+](=O)[O-]
InChI
InChI=1S/C5H7NO3/c1-4(6(7)8)5-2-9-3-5/h2-3H2,1H3
InChIKey
VJPPYCQTDYVJKO-UHFFFAOYSA-N
Compound name
3-(1-nitroethylidene)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.04259 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04987 124.0
[M+Na]+ 152.03181 130.3
[M+NH4]+ 147.07641 127.8
[M+K]+ 168.00575 130.9
[M-H]- 128.03531 124.0
[M+Na-2H]- 150.01726 125.3
[M]+ 129.04204 123.4
[M]- 129.04314 123.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.