CID 137942216

3-(2-methoxyethyl)bicyclo[1.1.1]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C9H14O3
SMILES
COCCC12CC(C1)(C2)C(=O)O
InChI
InChI=1S/C9H14O3/c1-12-3-2-8-4-9(5-8,6-8)7(10)11/h2-6H2,1H3,(H,10,11)
InChIKey
DCNRHZVPDJZTCK-UHFFFAOYSA-N
Compound name
3-(2-methoxyethyl)bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0943 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 156.0
[M+Na]+ 193.08352 159.0
[M-H]- 169.08702 158.1
[M+NH4]+ 188.12812 161.6
[M+K]+ 209.05746 164.8
[M+H-H2O]+ 153.09156 143.6
[M+HCOO]- 215.09250 167.5
[M+CH3COO]- 229.10815 206.4
[M+Na-2H]- 191.06897 161.5
[M]+ 170.09375 181.6
[M]- 170.09485 181.6
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.