CID 236483

10-hydroxyundecanoic acid

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

755
Patents

202.15689 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.164166 151.6
[M+Na]+ 225.146108 155.7
[M-H]- 201.149614 148.2
[M+NH4]+ 220.190713 169.3
[M+K]+ 241.120048 154.0
[M+H-H2O]+ 185.154150 146.4
[M+HCOO]- 247.155091 169.6
[M+CH3COO]- 261.170741 183.7
[M+Na-2H]- 223.131556 152.4
[M]+ 202.15634142 153.3
[M]- 202.15743858 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