CID 24583

2-methyloctanal

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

0
References

3913
Patents

142.13577 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.14305 134.4
[M+Na]+ 165.12499 140.5
[M-H]- 141.12849 134.3
[M+NH4]+ 160.16959 156.2
[M+K]+ 181.09893 139.9
[M+H-H2O]+ 125.13303 129.7
[M+HCOO]- 187.13397 156.7
[M+CH3COO]- 201.14962 178.3
[M+Na-2H]- 163.11044 138.8
[M]+ 142.13522 137.0
[M]- 142.13632 137.0
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