CID 494734

Nsc630259

Structural Information

Molecular Formula
C11H11NO3
SMILES
C1C2C=CC1C(C2C3=CC=CO3)[N+](=O)[O-]
InChI
InChI=1S/C11H11NO3/c13-12(14)11-8-4-3-7(6-8)10(11)9-2-1-5-15-9/h1-5,7-8,10-11H,6H2
InChIKey
GJUPVGNLPWPQKP-UHFFFAOYSA-N
Compound name
2-(3-nitro-2-bicyclo[2.2.1]hept-5-enyl)furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.0739 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 145.4
[M+Na]+ 228.06312 152.5
[M-H]- 204.06662 152.9
[M+NH4]+ 223.10772 168.8
[M+K]+ 244.03706 147.8
[M+H-H2O]+ 188.07116 146.1
[M+HCOO]- 250.07210 169.9
[M+CH3COO]- 264.08775 179.4
[M+Na-2H]- 226.04857 150.6
[M]+ 205.07335 145.2
[M]- 205.07445 145.2
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.