CID 10446412

10-nonadecen-2-one

Structural Information

Molecular Formula
C19H36O
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)C
InChI
InChI=1S/C19H36O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)20/h10-11H,3-9,12-18H2,1-2H3/b11-10+
InChIKey
BCGHKURMNAHJEA-ZHACJKMWSA-N
Compound name
(E)-nonadec-10-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1171
Patents

280.2766 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.28388 178.8
[M+Na]+ 303.26582 181.1
[M-H]- 279.26932 176.9
[M+NH4]+ 298.31042 195.0
[M+K]+ 319.23976 177.2
[M+H-H2O]+ 263.27386 172.2
[M+HCOO]- 325.27480 198.0
[M+CH3COO]- 339.29045 206.8
[M+Na-2H]- 301.25127 177.7
[M]+ 280.27605 184.4
[M]- 280.27715 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