CID 637257

3-oxoundecanoic acid

Structural Information

Molecular Formula
C11H20O3
SMILES
CCCCCCCCC(=O)CC(=O)O
InChI
InChI=1S/C11H20O3/c1-2-3-4-5-6-7-8-10(12)9-11(13)14/h2-9H2,1H3,(H,13,14)
InChIKey
RYAXOIRSQGWHQD-UHFFFAOYSA-N
Compound name
3-oxoundecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

200.14125 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.148526 149.2
[M+Na]+ 223.130468 154.0
[M-H]- 199.133974 147.3
[M+NH4]+ 218.175073 167.6
[M+K]+ 239.104408 152.7
[M+H-H2O]+ 183.138510 144.0
[M+HCOO]- 245.139451 169.0
[M+CH3COO]- 259.155101 185.4
[M+Na-2H]- 221.115916 150.6
[M]+ 200.14070142 152.1
[M]- 200.14179858 152.1
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