CID 11889207

2,3-norbornanedicarboxylic acid

Structural Information

Molecular Formula
C9H12O4
SMILES
C1C[C@H]2C[C@@H]1[C@H]([C@H]2C(=O)O)C(=O)O
InChI
InChI=1S/C9H12O4/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13/h4-7H,1-3H2,(H,10,11)(H,12,13)/t4-,5+,6-,7+
InChIKey
IVVOCRBADNIWDM-UMRXKNAASA-N
Compound name
(1R,2R,3S,4S)-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

3733
Patents

184.07356 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08084 140.5
[M+Na]+ 207.06278 146.9
[M-H]- 183.06628 140.7
[M+NH4]+ 202.10738 163.9
[M+K]+ 223.03672 145.2
[M+H-H2O]+ 167.07082 137.3
[M+HCOO]- 229.07176 157.7
[M+CH3COO]- 243.08741 177.0
[M+Na-2H]- 205.04823 140.7
[M]+ 184.07301 138.3
[M]- 184.07411 138.3
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