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

7
Patents

172.07356 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.080836 137.0
[M+Na]+ 195.062778 145.7
[M-H]- 171.066284 140.5
[M+NH4]+ 190.107383 153.6
[M+K]+ 211.036718 144.8
[M+H-H2O]+ 155.070820 132.8
[M+HCOO]- 217.071761 158.0
[M+CH3COO]- 231.087411 179.3
[M+Na-2H]- 193.048226 141.9
[M]+ 172.07301142 141.9
[M]- 172.07410858 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