CID 12591

Nonadecanoic acid

Structural Information

Molecular Formula
C19H38O2
SMILES
CCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)
InChIKey
ISYWECDDZWTKFF-UHFFFAOYSA-N
Compound name
nonadecanoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

44
References

20514
Patents

298.28717 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.294446 183.8
[M+Na]+ 321.276388 185.2
[M-H]- 297.279894 180.3
[M+NH4]+ 316.320993 198.5
[M+K]+ 337.250328 181.4
[M+H-H2O]+ 281.284430 177.0
[M+HCOO]- 343.285371 201.5
[M+CH3COO]- 357.301021 207.5
[M+Na-2H]- 319.261836 182.1
[M]+ 298.28662142 189.7
[M]- 298.28771858 189.7
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