CID 170898252

1-(methoxycarbonyl)bicyclo[1.1.1]pentane-2-carboxylic acid

Structural Information

Molecular Formula
C8H10O4
SMILES
COC(=O)C12CC(C1)C2C(=O)O
InChI
InChI=1S/C8H10O4/c1-12-7(11)8-2-4(3-8)5(8)6(9)10/h4-5H,2-3H2,1H3,(H,9,10)
InChIKey
HGWXWIFFISYASA-UHFFFAOYSA-N
Compound name
1-methoxycarbonylbicyclo[1.1.1]pentane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0579 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06518 153.5
[M+Na]+ 193.04712 149.5
[M+NH4]+ 188.09172 151.0
[M+K]+ 209.02106 149.8
[M-H]- 169.05062 144.8
[M+Na-2H]- 191.03257 147.1
[M]+ 170.05735 147.6
[M]- 170.05845 147.6
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

No patent data available for this compound.