CID 12950421

2-pentylnonanal

Structural Information

Molecular Formula
C14H28O
SMILES
CCCCCCCC(CCCCC)C=O
InChI
InChI=1S/C14H28O/c1-3-5-7-8-10-12-14(13-15)11-9-6-4-2/h13-14H,3-12H2,1-2H3
InChIKey
DXRZZZFLQMCCFC-UHFFFAOYSA-N
Compound name
2-pentylnonanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

212.21402 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.22130 157.6
[M+Na]+ 235.20324 161.6
[M-H]- 211.20674 156.6
[M+NH4]+ 230.24784 176.6
[M+K]+ 251.17718 159.7
[M+H-H2O]+ 195.21128 151.9
[M+HCOO]- 257.21222 178.2
[M+CH3COO]- 271.22787 193.4
[M+Na-2H]- 233.18869 159.2
[M]+ 212.21347 162.1
[M]- 212.21457 162.1
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