CID 42607287

12-hydroxyhexacosanoic acid

Structural Information

Molecular Formula
C26H52O3
SMILES
CCCCCCCCCCCCCCC(CCCCCCCCCCC(=O)O)O
InChI
InChI=1S/C26H52O3/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-25(27)23-20-17-14-11-12-15-18-21-24-26(28)29/h25,27H,2-24H2,1H3,(H,28,29)
InChIKey
JTFQZKDWOBAOME-UHFFFAOYSA-N
Compound name
12-hydroxyhexacosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.39163 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.39891 218.1
[M+Na]+ 435.38085 215.9
[M-H]- 411.38435 211.8
[M+NH4]+ 430.42545 214.9
[M+K]+ 451.35479 210.5
[M+H-H2O]+ 395.38889 210.1
[M+HCOO]- 457.38983 223.6
[M+CH3COO]- 471.40548 228.1
[M+Na-2H]- 433.36630 211.1
[M]+ 412.39108 225.4
[M]- 412.39218 225.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.