CID 125462089

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

Structural Information

Molecular Formula
C7H10O3
SMILES
COC12CC(C1)(C2)C(=O)O
InChI
InChI=1S/C7H10O3/c1-10-7-2-6(3-7,4-7)5(8)9/h2-4H2,1H3,(H,8,9)
InChIKey
SJSOVZLDIFAAQA-UHFFFAOYSA-N
Compound name
3-methoxybicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

142.06299 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 145.4
[M+Na]+ 165.05221 142.0
[M+NH4]+ 160.09681 144.8
[M+K]+ 181.02615 140.5
[M-H]- 141.05571 137.5
[M+Na-2H]- 163.03766 141.4
[M]+ 142.06244 140.0
[M]- 142.06354 140.0
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