CID 139065

13-hydroxytridecanoic acid

Structural Information

Molecular Formula
C13H26O3
SMILES
C(CCCCCCO)CCCCCC(=O)O
InChI
InChI=1S/C13H26O3/c14-12-10-8-6-4-2-1-3-5-7-9-11-13(15)16/h14H,1-12H2,(H,15,16)
InChIKey
DWXOPJCPYKBNEC-UHFFFAOYSA-N
Compound name
13-hydroxytridecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

307
Patents

230.1882 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.19548 160.1
[M+Na]+ 253.17742 163.5
[M-H]- 229.18092 156.2
[M+NH4]+ 248.22202 176.7
[M+K]+ 269.15136 160.9
[M+H-H2O]+ 213.18546 154.4
[M+HCOO]- 275.18640 178.5
[M+CH3COO]- 289.20205 188.8
[M+Na-2H]- 251.16287 161.1
[M]+ 230.18765 163.2
[M]- 230.18875 163.2
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