CID 114222

2-hydroxy-5-nonylbenzaldehyde

Structural Information

Molecular Formula
C16H24O2
SMILES
CCCCCCCCCC1=CC(=C(C=C1)O)C=O
InChI
InChI=1S/C16H24O2/c1-2-3-4-5-6-7-8-9-14-10-11-16(18)15(12-14)13-17/h10-13,18H,2-9H2,1H3
InChIKey
JYWIGMQDJSGOMD-UHFFFAOYSA-N
Compound name
2-hydroxy-5-nonylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

164
Patents

248.17763 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.18491 160.7
[M+Na]+ 271.16685 166.9
[M-H]- 247.17035 162.3
[M+NH4]+ 266.21145 177.8
[M+K]+ 287.14079 162.8
[M+H-H2O]+ 231.17489 154.3
[M+HCOO]- 293.17583 182.1
[M+CH3COO]- 307.19148 195.3
[M+Na-2H]- 269.15230 163.3
[M]+ 248.17708 164.3
[M]- 248.17818 164.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe