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]+ 215.12779 150.6
[M+Na]+ 237.10973 158.6
[M-H]- 213.11323 155.0
[M+NH4]+ 232.15433 166.4
[M+K]+ 253.08367 157.9
[M+H-H2O]+ 197.11777 145.7
[M+HCOO]- 259.11871 172.1
[M+CH3COO]- 273.13436 189.7
[M+Na-2H]- 235.09518 154.4
[M]+ 214.11996 158.3
[M]- 214.12106 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.