CID 13111890

13-hydroxytetradecanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

244.20384 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.21112 163.0
[M+Na]+ 267.19306 169.8
[M+NH4]+ 262.23766 168.1
[M+K]+ 283.16700 164.7
[M-H]- 243.19656 160.0
[M+Na-2H]- 265.17851 162.6
[M]+ 244.20329 162.7
[M]- 244.20439 162.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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