CID 92737

2,6,10-trimethylundecanal

Structural Information

Molecular Formula
C14H28O
SMILES
CC(C)CCCC(C)CCCC(C)C=O
InChI
InChI=1S/C14H28O/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h11-14H,5-10H2,1-4H3
InChIKey
MBZCATXQAHUZEZ-UHFFFAOYSA-N
Compound name
2,6,10-trimethylundecanal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

179
Patents

212.21402 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.221296 158.1
[M+Na]+ 235.203238 161.8
[M-H]- 211.206744 157.3
[M+NH4]+ 230.247843 177.0
[M+K]+ 251.177178 160.7
[M+H-H2O]+ 195.211280 152.7
[M+HCOO]- 257.212221 176.8
[M+CH3COO]- 271.227871 195.0
[M+Na-2H]- 233.188686 157.2
[M]+ 212.21347142 161.3
[M]- 212.21456858 161.3
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