CID 94062

2,4,6-tripropoxybenzaldehyde

Structural Information

Molecular Formula
C16H24O4
SMILES
CCCOC1=CC(=C(C(=C1)OCCC)C=O)OCCC
InChI
InChI=1S/C16H24O4/c1-4-7-18-13-10-15(19-8-5-2)14(12-17)16(11-13)20-9-6-3/h10-12H,4-9H2,1-3H3
InChIKey
ZKEZHPWKUOFRIB-UHFFFAOYSA-N
Compound name
2,4,6-tripropoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

280.16745 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.174726 165.5
[M+Na]+ 303.156668 172.8
[M-H]- 279.160174 168.9
[M+NH4]+ 298.201273 182.2
[M+K]+ 319.130608 170.8
[M+H-H2O]+ 263.164710 158.5
[M+HCOO]- 325.165651 188.8
[M+CH3COO]- 339.181301 203.1
[M+Na-2H]- 301.142116 168.0
[M]+ 280.16690142 174.3
[M]- 280.16799858 174.3
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