CID 14611213

Bicyclo[2.2.1]heptane-1,4-dicarboxylic acid

Structural Information

Molecular Formula
C9H12O4
SMILES
C1CC2(CCC1(C2)C(=O)O)C(=O)O
InChI
InChI=1S/C9H12O4/c10-6(11)8-1-2-9(5-8,4-3-8)7(12)13/h1-5H2,(H,10,11)(H,12,13)
InChIKey
XTHLMMQPSUSPPS-UHFFFAOYSA-N
Compound name
bicyclo[2.2.1]heptane-1,4-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

184.07356 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08084 142.2
[M+Na]+ 207.06278 149.0
[M-H]- 183.06628 142.4
[M+NH4]+ 202.10738 169.0
[M+K]+ 223.03672 147.1
[M+H-H2O]+ 167.07082 140.1
[M+HCOO]- 229.07176 159.4
[M+CH3COO]- 243.08741 173.9
[M+Na-2H]- 205.04823 146.1
[M]+ 184.07301 140.1
[M]- 184.07411 140.1
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

patents stripe