CID 5375154

Nsc631965

Structural Information

Molecular Formula
C18H24O3
SMILES
CCCCCCCCCC1=CC(=O)C2=C(O1)C=C(C=C2)O
InChI
InChI=1S/C18H24O3/c1-2-3-4-5-6-7-8-9-15-13-17(20)16-11-10-14(19)12-18(16)21-15/h10-13,19H,2-9H2,1H3
InChIKey
LZGSPEQXACEODB-UHFFFAOYSA-N
Compound name
7-hydroxy-2-nonylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

288.17255 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.17983 168.9
[M+Na]+ 311.16177 176.4
[M-H]- 287.16527 172.4
[M+NH4]+ 306.20637 184.2
[M+K]+ 327.13571 172.8
[M+H-H2O]+ 271.16981 161.8
[M+HCOO]- 333.17075 188.7
[M+CH3COO]- 347.18640 202.1
[M+Na-2H]- 309.14722 173.7
[M]+ 288.17200 174.3
[M]- 288.17310 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