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
2
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 176.6
[M+Na]+ 333.24002 181.3
[M-H]- 309.24352 177.1
[M+NH4]+ 328.28462 185.8
[M+K]+ 349.21396 176.0
[M+H-H2O]+ 293.24806 169.7
[M+HCOO]- 355.24900 194.2
[M+CH3COO]- 369.26465 208.9
[M+Na-2H]- 331.22547 174.9
[M]+ 310.25025 184.4
[M]- 310.25135 184.4
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