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]+ 175.096476 137.2
[M+Na]+ 197.078418 146.7
[M-H]- 173.081924 140.9
[M+NH4]+ 192.123023 154.1
[M+K]+ 213.052358 145.8
[M+H-H2O]+ 157.086460 133.0
[M+HCOO]- 219.087401 158.8
[M+CH3COO]- 233.103051 181.0
[M+Na-2H]- 195.063866 142.7
[M]+ 174.08865142 143.9
[M]- 174.08974858 143.9
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.