CID 65496553

2-[1-(methoxymethyl)cyclopropyl]acetic acid

Structural Information

Molecular Formula
C7H12O3
SMILES
COCC1(CC1)CC(=O)O
InChI
InChI=1S/C7H12O3/c1-10-5-7(2-3-7)4-6(8)9/h2-5H2,1H3,(H,8,9)
InChIKey
NGVYBKMHZWOAIG-UHFFFAOYSA-N
Compound name
2-[1-(methoxymethyl)cyclopropyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

144.07864 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 132.5
[M+Na]+ 167.06786 143.5
[M+NH4]+ 162.11246 141.7
[M+K]+ 183.04180 138.9
[M-H]- 143.07136 139.1
[M+Na-2H]- 165.05331 140.3
[M]+ 144.07809 137.0
[M]- 144.07919 137.0
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

patents stripe