CID 120922

4-(cyclohexyloxy)-4-oxobutanoic acid

Structural Information

Molecular Formula
C10H16O4
SMILES
C1CCC(CC1)OC(=O)CCC(=O)O
InChI
InChI=1S/C10H16O4/c11-9(12)6-7-10(13)14-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12)
InChIKey
CQBVVSONJDUVEJ-UHFFFAOYSA-N
Compound name
4-cyclohexyloxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

200.10486 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11214 144.8
[M+Na]+ 223.09408 148.2
[M-H]- 199.09758 145.8
[M+NH4]+ 218.13868 162.6
[M+K]+ 239.06802 147.7
[M+H-H2O]+ 183.10212 139.0
[M+HCOO]- 245.10306 162.5
[M+CH3COO]- 259.11871 180.3
[M+Na-2H]- 221.07953 146.6
[M]+ 200.10431 142.0
[M]- 200.10541 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe