CID 69725649

2,2-bis(methoxymethyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C8H14O4
SMILES
COCC1(CC1C(=O)O)COC
InChI
InChI=1S/C8H14O4/c1-11-4-8(5-12-2)3-6(8)7(9)10/h6H,3-5H2,1-2H3,(H,9,10)
InChIKey
BXBUDXRNFCLMML-UHFFFAOYSA-N
Compound name
2,2-bis(methoxymethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.0892 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09648 138.7
[M+Na]+ 197.07842 149.4
[M+NH4]+ 192.12302 147.2
[M+K]+ 213.05236 145.3
[M-H]- 173.08192 144.8
[M+Na-2H]- 195.06387 145.6
[M]+ 174.08865 142.9
[M]- 174.08975 142.9
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.