CID 98465

36897-94-6

Structural Information

Molecular Formula
C10H12O4
SMILES
COC(=O)C1C2CC(C1C(=O)O)C=C2
InChI
InChI=1S/C10H12O4/c1-14-10(13)8-6-3-2-5(4-6)7(8)9(11)12/h2-3,5-8H,4H2,1H3,(H,11,12)
InChIKey
JYZKYCYHXBQTCY-UHFFFAOYSA-N
Compound name
3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

839
Patents

196.07356 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 141.7
[M+Na]+ 219.06278 149.0
[M+NH4]+ 214.10738 148.9
[M+K]+ 235.03672 149.4
[M-H]- 195.06628 139.7
[M+Na-2H]- 217.04823 141.2
[M]+ 196.07301 141.6
[M]- 196.07411 141.6
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