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

23428
Patents

298.28717 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.29445 183.8
[M+Na]+ 321.27639 185.2
[M-H]- 297.27989 180.3
[M+NH4]+ 316.32099 198.5
[M+K]+ 337.25033 181.4
[M+H-H2O]+ 281.28443 177.0
[M+HCOO]- 343.28537 201.5
[M+CH3COO]- 357.30102 207.5
[M+Na-2H]- 319.26184 182.1
[M]+ 298.28662 189.7
[M]- 298.28772 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