CID 683971

4-[(e)-2-nitroethenyl]morpholine

Structural Information

Molecular Formula
C6H10N2O3
SMILES
C1COCCN1/C=C/[N+](=O)[O-]
InChI
InChI=1S/C6H10N2O3/c9-8(10)2-1-7-3-5-11-6-4-7/h1-2H,3-6H2/b2-1+
InChIKey
RMFYRMWFMLPCQK-OWOJBTEDSA-N
Compound name
4-[(E)-2-nitroethenyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

158.06914 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.07642 131.7
[M+Na]+ 181.05836 136.6
[M-H]- 157.06186 133.8
[M+NH4]+ 176.10296 148.7
[M+K]+ 197.03230 133.0
[M+H-H2O]+ 141.06640 129.8
[M+HCOO]- 203.06734 152.4
[M+CH3COO]- 217.08299 167.7
[M+Na-2H]- 179.04381 140.5
[M]+ 158.06859 126.9
[M]- 158.06969 126.9
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

patents stripe