CID 29381

2-methyldecanal

Structural Information

Molecular Formula
C11H22O
SMILES
CCCCCCCCC(C)C=O
InChI
InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-11(2)10-12/h10-11H,3-9H2,1-2H3
InChIKey
LBICMZLDYMBIGA-UHFFFAOYSA-N
Compound name
2-methyldecanal
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

4419
Patents

170.16707 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.17435 143.7
[M+Na]+ 193.15629 149.0
[M-H]- 169.15979 143.3
[M+NH4]+ 188.20089 164.4
[M+K]+ 209.13023 147.9
[M+H-H2O]+ 153.16433 138.6
[M+HCOO]- 215.16527 165.4
[M+CH3COO]- 229.18092 184.3
[M+Na-2H]- 191.14174 147.0
[M]+ 170.16652 147.1
[M]- 170.16762 147.1
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