CID 131751126

(r)-2-hydroxysterculic acid

Structural Information

Molecular Formula
C19H34O3
SMILES
CCCCCCCCC1=C(C1)CCCCCCC(C(=O)O)O
InChI
InChI=1S/C19H34O3/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(20)19(21)22/h18,20H,2-15H2,1H3,(H,21,22)
InChIKey
NIMPMJIXSJYVEO-UHFFFAOYSA-N
Compound name
2-hydroxy-8-(2-octylcyclopropen-1-yl)octanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

310.2508 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.25808 174.9
[M+Na]+ 333.24002 183.8
[M+NH4]+ 328.28462 180.5
[M+K]+ 349.21396 179.4
[M-H]- 309.24352 180.4
[M+Na-2H]- 331.22547 178.3
[M]+ 310.25025 178.5
[M]- 310.25135 178.5
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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