CID 102569911

En300-1847298

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]+ 159.10158 133.3
[M+Na]+ 181.08352 143.5
[M-H]- 157.08702 137.5
[M+NH4]+ 176.12812 152.8
[M+K]+ 197.05746 143.3
[M+H-H2O]+ 141.09156 130.8
[M+HCOO]- 203.09250 154.4
[M+CH3COO]- 217.10815 178.9
[M+Na-2H]- 179.06897 140.0
[M]+ 158.09375 139.1
[M]- 158.09485 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.