CID 139991

15872-28-3

Structural Information

Molecular Formula
C9H8O4
SMILES
C1C2C=CC1C(=C2C(=O)O)C(=O)O
InChI
InChI=1S/C9H8O4/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h1-2,4-5H,3H2,(H,10,11)(H,12,13)
InChIKey
NRIMHVFWRMABGJ-UHFFFAOYSA-N
Compound name
bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

926
Patents

180.04225 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.04953 136.1
[M+Na]+ 203.03147 144.0
[M+NH4]+ 198.07607 143.2
[M+K]+ 219.00541 144.7
[M-H]- 179.03497 133.8
[M+Na-2H]- 201.01692 136.2
[M]+ 180.04170 136.0
[M]- 180.04280 136.0
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