CID 97965

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

Structural Information

Molecular Formula
C9H10O4
SMILES
C1C2C=CC1C(C2C(=O)O)C(=O)O
InChI
InChI=1S/C9H10O4/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-7H,3H2,(H,10,11)(H,12,13)
InChIKey
NIDNOXCRFUCAKQ-UHFFFAOYSA-N
Compound name
bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

23699
Patents

182.0579 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06518 137.5
[M+Na]+ 205.04712 144.4
[M+NH4]+ 200.09172 144.5
[M+K]+ 221.02106 145.3
[M-H]- 181.05062 135.0
[M+Na-2H]- 203.03257 136.7
[M]+ 182.05735 137.2
[M]- 182.05845 137.2
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