CID 14297102

6-methyloctanal

Structural Information

Molecular Formula
C9H18O
SMILES
CCC(C)CCCCC=O
InChI
InChI=1S/C9H18O/c1-3-9(2)7-5-4-6-8-10/h8-9H,3-7H2,1-2H3
InChIKey
ANZKSSJWPUCGOP-UHFFFAOYSA-N
Compound name
6-methyloctanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

389
Patents

142.13577 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.14305 133.9
[M+Na]+ 165.12499 144.2
[M+NH4]+ 160.16959 141.9
[M+K]+ 181.09893 137.8
[M-H]- 141.12849 133.6
[M+Na-2H]- 163.11044 137.5
[M]+ 142.13522 135.1
[M]- 142.13632 135.1
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