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 139.6
[M+Na]+ 195.06278 149.7
[M+NH4]+ 190.10738 147.8
[M+K]+ 211.03672 146.0
[M-H]- 171.06628 145.3
[M+Na-2H]- 193.04823 146.2
[M]+ 172.07301 143.5
[M]- 172.07411 143.5
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