CID 73052799

2-[1-(2-methoxy-2-oxoethyl)cyclopropyl]acetic acid

Structural Information

Molecular Formula
C8H12O4
SMILES
COC(=O)CC1(CC1)CC(=O)O
InChI
InChI=1S/C8H12O4/c1-12-7(11)5-8(2-3-8)4-6(9)10/h2-5H2,1H3,(H,9,10)
InChIKey
WAWQZYPQMBDLIQ-UHFFFAOYSA-N
Compound name
2-[1-(2-methoxy-2-oxoethyl)cyclopropyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

172.07356 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 137.0
[M+Na]+ 195.06278 145.7
[M-H]- 171.06628 140.5
[M+NH4]+ 190.10738 153.6
[M+K]+ 211.03672 144.8
[M+H-H2O]+ 155.07082 132.8
[M+HCOO]- 217.07176 158.0
[M+CH3COO]- 231.08741 179.3
[M+Na-2H]- 193.04823 141.9
[M]+ 172.07301 141.9
[M]- 172.07411 141.9
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

patents stripe