CID 153771186

4-nitroso-1,4-oxazepane

Structural Information

Molecular Formula
C5H10N2O2
SMILES
C1CN(CCOC1)N=O
InChI
InChI=1S/C5H10N2O2/c8-6-7-2-1-4-9-5-3-7/h1-5H2
InChIKey
DIFKZFYDGQNAOW-UHFFFAOYSA-N
Compound name
4-nitroso-1,4-oxazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.07423 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.08151 119.4
[M+Na]+ 153.06345 123.2
[M-H]- 129.06695 124.0
[M+NH4]+ 148.10805 137.3
[M+K]+ 169.03739 129.3
[M+H-H2O]+ 113.07149 112.5
[M+HCOO]- 175.07243 140.9
[M+CH3COO]- 189.08808 175.8
[M+Na-2H]- 151.04890 128.1
[M]+ 130.07368 114.8
[M]- 130.07478 114.8
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

No patent data available for this compound.