CID 90472028

2-nitrobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid

Structural Information

Molecular Formula
C9H9NO6
SMILES
C1C2C=CC1C(C2C(=O)O)(C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C9H9NO6/c11-7(12)6-4-1-2-5(3-4)9(6,8(13)14)10(15)16/h1-2,4-6H,3H2,(H,11,12)(H,13,14)
InChIKey
QJZYHAIUNVAGQP-UHFFFAOYSA-N
Compound name
2-nitrobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8055
References

60159
Patents

227.04298 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.050256 145.5
[M+Na]+ 250.032198 152.1
[M-H]- 226.035704 146.3
[M+NH4]+ 245.076803 168.0
[M+K]+ 266.006138 146.7
[M+H-H2O]+ 210.040240 147.6
[M+HCOO]- 272.041181 165.2
[M+CH3COO]- 286.056831 176.8
[M+Na-2H]- 248.017646 150.6
[M]+ 227.04243142 143.8
[M]- 227.04352858 143.8
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.