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 152.4
[M+Na]+ 193.04712 155.0
[M-H]- 169.05062 154.3
[M+NH4]+ 188.09172 156.3
[M+K]+ 209.02106 162.1
[M+H-H2O]+ 153.05516 138.5
[M+HCOO]- 215.05610 163.5
[M+CH3COO]- 229.07175 206.3
[M+Na-2H]- 191.03257 156.1
[M]+ 170.05735 177.6
[M]- 170.05845 177.6
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.