CID 125424401

2031269-04-0

Structural Information

Molecular Formula
C11H18O4
SMILES
COC(=O)CCC1(CC1)CCC(=O)OC
InChI
InChI=1S/C11H18O4/c1-14-9(12)3-5-11(7-8-11)6-4-10(13)15-2/h3-8H2,1-2H3
InChIKey
IFMPCMDGYHGFER-UHFFFAOYSA-N
Compound name
methyl 3-[1-(3-methoxy-3-oxopropyl)cyclopropyl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.12051 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.127786 150.6
[M+Na]+ 237.109728 158.6
[M-H]- 213.113234 155.0
[M+NH4]+ 232.154333 166.4
[M+K]+ 253.083668 157.9
[M+H-H2O]+ 197.117770 145.7
[M+HCOO]- 259.118711 172.1
[M+CH3COO]- 273.134361 189.7
[M+Na-2H]- 235.095176 154.4
[M]+ 214.11996142 158.3
[M]- 214.12105858 158.3
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.