CID 102569911

1-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C8H14O3
SMILES
CC1(CC1(COC)C(=O)O)C
InChI
InChI=1S/C8H14O3/c1-7(2)4-8(7,5-11-3)6(9)10/h4-5H2,1-3H3,(H,9,10)
InChIKey
LQDWYDQSBZTOTK-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 133.3
[M+Na]+ 181.083518 143.5
[M-H]- 157.087024 137.5
[M+NH4]+ 176.128123 152.8
[M+K]+ 197.057458 143.3
[M+H-H2O]+ 141.091560 130.8
[M+HCOO]- 203.092501 154.4
[M+CH3COO]- 217.108151 178.9
[M+Na-2H]- 179.068966 140.0
[M]+ 158.09375142 139.1
[M]- 158.09484858 139.1
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.