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 159.8
[M+Na]+ 247.20324 164.4
[M-H]- 223.20674 158.9
[M+NH4]+ 242.24784 178.4
[M+K]+ 263.17718 161.5
[M+H-H2O]+ 207.21128 154.6
[M+HCOO]- 269.21222 179.8
[M+CH3COO]- 283.22787 195.0
[M+Na-2H]- 245.18869 162.9
[M]+ 224.21347 164.2
[M]- 224.21457 164.2
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

No patent data available for this compound.