CID 24514

4-hydroxyundecanoic acid

Structural Information

Molecular Formula
C11H22O3
SMILES
CCCCCCCC(CCC(=O)O)O
InChI
InChI=1S/C11H22O3/c1-2-3-4-5-6-7-10(12)8-9-11(13)14/h10,12H,2-9H2,1H3,(H,13,14)
InChIKey
XEXIVNNTJNBUGV-UHFFFAOYSA-N
Compound name
4-hydroxyundecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

202.15689 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.16417 151.6
[M+Na]+ 225.14611 155.7
[M-H]- 201.14961 148.2
[M+NH4]+ 220.19071 169.3
[M+K]+ 241.12005 154.0
[M+H-H2O]+ 185.15415 146.4
[M+HCOO]- 247.15509 169.6
[M+CH3COO]- 261.17074 183.7
[M+Na-2H]- 223.13156 152.4
[M]+ 202.15634 153.3
[M]- 202.15744 153.3
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