CID 162267

2-methyldodecanal

Structural Information

Molecular Formula
C13H26O
SMILES
CCCCCCCCCCC(C)C=O
InChI
InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-13(2)12-14/h12-13H,3-11H2,1-2H3
InChIKey
ISZREKMLQKLUDD-UHFFFAOYSA-N
Compound name
2-methyldodecanal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

318
Patents

198.19836 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.20564 151.7
[M+Na]+ 221.18758 161.1
[M+NH4]+ 216.23218 159.0
[M+K]+ 237.16152 153.7
[M-H]- 197.19108 151.1
[M+Na-2H]- 219.17303 154.1
[M]+ 198.19781 152.7
[M]- 198.19891 152.7
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