CID 69423

2-nonadecanone

Structural Information

Molecular Formula
C19H38O
SMILES
CCCCCCCCCCCCCCCCCC(=O)C
InChI
InChI=1S/C19H38O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h3-18H2,1-2H3
InChIKey
IEDKVDCIEARIIU-UHFFFAOYSA-N
Compound name
nonadecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1107
Patents

282.29227 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.29955 180.4
[M+Na]+ 305.28149 182.3
[M-H]- 281.28499 178.3
[M+NH4]+ 300.32609 196.5
[M+K]+ 321.25543 179.0
[M+H-H2O]+ 265.28953 173.6
[M+HCOO]- 327.29047 199.3
[M+CH3COO]- 341.30612 208.3
[M+Na-2H]- 303.26694 179.2
[M]+ 282.29172 186.8
[M]- 282.29282 186.8
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