CID 122667621

3-ethylbicyclo[1.1.1]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
CCC12CC(C1)(C2)C(=O)O
InChI
InChI=1S/C8H12O2/c1-2-7-3-8(4-7,5-7)6(9)10/h2-5H2,1H3,(H,9,10)
InChIKey
UCSOISHLWPFVKN-UHFFFAOYSA-N
Compound name
3-ethylbicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

140.08372 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 145.7
[M+Na]+ 163.07294 142.5
[M+NH4]+ 158.11754 145.4
[M+K]+ 179.04688 140.5
[M-H]- 139.07644 138.1
[M+Na-2H]- 161.05839 141.8
[M]+ 140.08317 140.5
[M]- 140.08427 140.5
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

patents stripe