CID 5364551

2-nonenal, 2-pentyl-

Structural Information

Molecular Formula
C14H26O
SMILES
CCCCCC/C=C(/CCCCC)\C=O
InChI
InChI=1S/C14H26O/c1-3-5-7-8-10-12-14(13-15)11-9-6-4-2/h12-13H,3-11H2,1-2H3/b14-12-
InChIKey
VIKQYIINCNAGJW-OWBHPGMISA-N
Compound name
(Z)-2-pentylnon-2-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

53
Patents

210.19836 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.20564 156.1
[M+Na]+ 233.18758 160.5
[M-H]- 209.19108 155.1
[M+NH4]+ 228.23218 175.1
[M+K]+ 249.16152 157.9
[M+H-H2O]+ 193.19562 150.5
[M+HCOO]- 255.19656 176.9
[M+CH3COO]- 269.21221 191.8
[M+Na-2H]- 231.17303 157.7
[M]+ 210.19781 159.8
[M]- 210.19891 159.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe