CID 165658789

2792217-18-4

Structural Information

Molecular Formula
C10H16O4
SMILES
CCOCC1(CCC(=O)CC1)C(=O)O
InChI
InChI=1S/C10H16O4/c1-2-14-7-10(9(12)13)5-3-8(11)4-6-10/h2-7H2,1H3,(H,12,13)
InChIKey
HUBMCOONEDZMOD-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-4-oxocyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.10486 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.112136 143.2
[M+Na]+ 223.094078 148.7
[M-H]- 199.097584 144.8
[M+NH4]+ 218.138683 163.4
[M+K]+ 239.068018 147.9
[M+H-H2O]+ 183.102120 138.6
[M+HCOO]- 245.103061 161.8
[M+CH3COO]- 259.118711 180.8
[M+Na-2H]- 221.079526 146.9
[M]+ 200.10431142 141.8
[M]- 200.10540858 141.8
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.