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 137.2
[M+Na]+ 197.07842 146.7
[M-H]- 173.08192 140.9
[M+NH4]+ 192.12302 154.1
[M+K]+ 213.05236 145.8
[M+H-H2O]+ 157.08646 133.0
[M+HCOO]- 219.08740 158.8
[M+CH3COO]- 233.10305 181.0
[M+Na-2H]- 195.06387 142.7
[M]+ 174.08865 143.9
[M]- 174.08975 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.