CID 81789

2',5'-dihydroxynonanophenone

Structural Information

Molecular Formula
C15H22O3
SMILES
CCCCCCCCC(=O)C1=C(C=CC(=C1)O)O
InChI
InChI=1S/C15H22O3/c1-2-3-4-5-6-7-8-14(17)13-11-12(16)9-10-15(13)18/h9-11,16,18H,2-8H2,1H3
InChIKey
UVMLDALNKAEDMK-UHFFFAOYSA-N
Compound name
1-(2,5-dihydroxyphenyl)nonan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

250.15689 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 160.2
[M+Na]+ 273.14611 165.9
[M-H]- 249.14961 160.6
[M+NH4]+ 268.19071 176.3
[M+K]+ 289.12005 162.3
[M+H-H2O]+ 233.15415 154.1
[M+HCOO]- 295.15509 179.6
[M+CH3COO]- 309.17074 192.6
[M+Na-2H]- 271.13156 161.6
[M]+ 250.15634 162.3
[M]- 250.15744 162.3
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