CID 15051082

4-(6-hydroxyhexoxy)benzaldehyde

Structural Information

Molecular Formula
C13H18O3
SMILES
C1=CC(=CC=C1C=O)OCCCCCCO
InChI
InChI=1S/C13H18O3/c14-9-3-1-2-4-10-16-13-7-5-12(11-15)6-8-13/h5-8,11,14H,1-4,9-10H2
InChIKey
YCKLLCWNZUJZHZ-UHFFFAOYSA-N
Compound name
4-(6-hydroxyhexoxy)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

222.1256 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.132876 150.6
[M+Na]+ 245.114818 157.0
[M-H]- 221.118324 152.3
[M+NH4]+ 240.159423 168.3
[M+K]+ 261.088758 154.1
[M+H-H2O]+ 205.122860 144.2
[M+HCOO]- 267.123801 173.2
[M+CH3COO]- 281.139451 187.1
[M+Na-2H]- 243.100266 155.5
[M]+ 222.12505142 154.1
[M]- 222.12614858 154.1
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