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 119.6
[M+Na]+ 152.03181 124.3
[M-H]- 128.03531 123.7
[M+NH4]+ 147.07641 132.9
[M+K]+ 168.00575 125.1
[M+H-H2O]+ 112.03985 113.7
[M+HCOO]- 174.04079 141.7
[M+CH3COO]- 188.05644 168.3
[M+Na-2H]- 150.01726 127.6
[M]+ 129.04204 125.7
[M]- 129.04314 125.7
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.