CID 15579850

3-(methoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C8H10O4
SMILES
COC(=O)C12CC(C1)(C2)C(=O)O
InChI
InChI=1S/C8H10O4/c1-12-6(11)8-2-7(3-8,4-8)5(9)10/h2-4H2,1H3,(H,9,10)
InChIKey
UJZHYIMESNWEQA-UHFFFAOYSA-N
Compound name
3-methoxycarbonylbicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

640
Patents

170.0579 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06518 156.9
[M+Na]+ 193.04712 159.7
[M-H]- 169.05062 159.0
[M+NH4]+ 188.09172 162.2
[M+K]+ 209.02106 166.3
[M+H-H2O]+ 153.05516 144.3
[M+HCOO]- 215.05610 167.9
[M+CH3COO]- 229.07175 205.3
[M+Na-2H]- 191.03257 161.6
[M]+ 170.05735 182.2
[M]- 170.05845 182.2
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