CID 494735

Nsc630262

Structural Information

Molecular Formula
C8H11NO3
SMILES
COC1C2CC(C1[N+](=O)[O-])C=C2
InChI
InChI=1S/C8H11NO3/c1-12-8-6-3-2-5(4-6)7(8)9(10)11/h2-3,5-8H,4H2,1H3
InChIKey
PIEQFJYGBFQBBX-UHFFFAOYSA-N
Compound name
5-methoxy-6-nitrobicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.0739 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.08118 135.9
[M+Na]+ 192.06312 143.5
[M-H]- 168.06662 139.3
[M+NH4]+ 187.10772 160.8
[M+K]+ 208.03706 138.7
[M+H-H2O]+ 152.07116 136.6
[M+HCOO]- 214.07210 160.2
[M+CH3COO]- 228.08775 173.9
[M+Na-2H]- 190.04857 142.1
[M]+ 169.07335 135.7
[M]- 169.07445 135.7
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.