CID 3085889

2-methyl-2-nonyl-4-pentenal

Structural Information

Molecular Formula
C15H28O
SMILES
CCCCCCCCC[C@@](C)(CC=C)C=O
InChI
InChI=1S/C15H28O/c1-4-6-7-8-9-10-11-13-15(3,14-16)12-5-2/h5,14H,2,4,6-13H2,1,3H3/t15-/m1/s1
InChIKey
QTIKGKCZYJBNMQ-OAHLLOKOSA-N
Compound name
(2S)-2-methyl-2-prop-2-enylundecanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.21402 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.22130 159.6
[M+Na]+ 247.20324 168.7
[M+NH4]+ 242.24784 166.2
[M+K]+ 263.17718 161.2
[M-H]- 223.20674 158.3
[M+Na-2H]- 245.18869 161.7
[M]+ 224.21347 160.4
[M]- 224.21457 160.4
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

No patent data available for this compound.