CID 11010202

9-hydroxytetradecanoic acid

Structural Information

Molecular Formula
C14H28O3
SMILES
CCCCCC(CCCCCCCC(=O)O)O
InChI
InChI=1S/C14H28O3/c1-2-3-7-10-13(15)11-8-5-4-6-9-12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)
InChIKey
KRUIJHPTWXBHHE-UHFFFAOYSA-N
Compound name
9-hydroxytetradecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

244.20384 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.21112 165.3
[M+Na]+ 267.19306 168.1
[M-H]- 243.19656 161.3
[M+NH4]+ 262.23766 181.3
[M+K]+ 283.16700 165.7
[M+H-H2O]+ 227.20110 159.5
[M+HCOO]- 289.20204 182.3
[M+CH3COO]- 303.21769 192.7
[M+Na-2H]- 265.17851 164.4
[M]+ 244.20329 168.1
[M]- 244.20439 168.1
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