CID 5282901

2-hydroxytridecanoic acid

Structural Information

Molecular Formula
C13H26O3
SMILES
CCCCCCCCCCCC(C(=O)O)O
InChI
InChI=1S/C13H26O3/c1-2-3-4-5-6-7-8-9-10-11-12(14)13(15)16/h12,14H,2-11H2,1H3,(H,15,16)
InChIKey
KCEUZVYQPROALO-UHFFFAOYSA-N
Compound name
2-hydroxytridecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

397
Patents

230.1882 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.19548 158.7
[M+Na]+ 253.17742 165.6
[M+NH4]+ 248.22202 163.9
[M+K]+ 269.15136 160.7
[M-H]- 229.18092 155.7
[M+Na-2H]- 251.16287 158.5
[M]+ 230.18765 158.3
[M]- 230.18875 158.3
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

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