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
2
Annotation Hits

0
References

191
Patents

212.21402 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.22130 156.5
[M+Na]+ 235.20324 165.1
[M+NH4]+ 230.24784 163.4
[M+K]+ 251.17718 159.1
[M-H]- 211.20674 155.5
[M+Na-2H]- 233.18869 158.0
[M]+ 212.21347 157.2
[M]- 212.21457 157.2
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