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

698
Patents

196.07356 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.080836 142.9
[M+Na]+ 219.062778 150.5
[M-H]- 195.066284 145.0
[M+NH4]+ 214.107383 166.8
[M+K]+ 235.036718 149.3
[M+H-H2O]+ 179.070820 139.5
[M+HCOO]- 241.071761 163.0
[M+CH3COO]- 255.087411 181.4
[M+Na-2H]- 217.048226 144.0
[M]+ 196.07301142 144.4
[M]- 196.07410858 144.4
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