CID 364682

Nsc631316

Structural Information

Molecular Formula
C9H13NO3
SMILES
CCOC1C2CC(C1[N+](=O)[O-])C=C2
InChI
InChI=1S/C9H13NO3/c1-2-13-9-7-4-3-6(5-7)8(9)10(11)12/h3-4,6-9H,2,5H2,1H3
InChIKey
XUTFFPJMZPBEOI-UHFFFAOYSA-N
Compound name
5-ethoxy-6-nitrobicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.08954 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09682 140.9
[M+Na]+ 206.07876 148.1
[M-H]- 182.08226 144.1
[M+NH4]+ 201.12336 165.2
[M+K]+ 222.05270 143.0
[M+H-H2O]+ 166.08680 141.3
[M+HCOO]- 228.08774 164.8
[M+CH3COO]- 242.10339 176.9
[M+Na-2H]- 204.06421 146.5
[M]+ 183.08899 141.0
[M]- 183.09009 141.0
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.