CID 10441

10-nonadecanone

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1452
Patents

282.29227 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.299546 180.4
[M+Na]+ 305.281488 182.3
[M-H]- 281.284994 178.3
[M+NH4]+ 300.326093 196.5
[M+K]+ 321.255428 179.0
[M+H-H2O]+ 265.289530 173.6
[M+HCOO]- 327.290471 199.3
[M+CH3COO]- 341.306121 208.3
[M+Na-2H]- 303.266936 179.2
[M]+ 282.29172142 186.8
[M]- 282.29281858 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