CID 3023941

2,4,6-tripropylbenzaldehyde

Structural Information

Molecular Formula
C16H24O
SMILES
CCCC1=CC(=C(C(=C1)CCC)C=O)CCC
InChI
InChI=1S/C16H24O/c1-4-7-13-10-14(8-5-2)16(12-17)15(11-13)9-6-3/h10-12H,4-9H2,1-3H3
InChIKey
XLBMUNUEKHFEFL-UHFFFAOYSA-N
Compound name
2,4,6-tripropylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.18271 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.189986 155.8
[M+Na]+ 255.171928 163.4
[M-H]- 231.175434 159.3
[M+NH4]+ 250.216533 174.7
[M+K]+ 271.145868 159.8
[M+H-H2O]+ 215.179970 149.7
[M+HCOO]- 277.180911 178.5
[M+CH3COO]- 291.196561 197.1
[M+Na-2H]- 253.157376 158.3
[M]+ 232.18216142 160.2
[M]- 232.18325858 160.2
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.