CID 135434178

Chembl358748

Structural Information

Molecular Formula
C15H21NO3
SMILES
CCCCCC1(C/C(=N/O)/C2=C(O1)C=C(C=C2)O)C
InChI
InChI=1S/C15H21NO3/c1-3-4-5-8-15(2)10-13(16-18)12-7-6-11(17)9-14(12)19-15/h6-7,9,17-18H,3-5,8,10H2,1-2H3/b16-13-
InChIKey
OUGSIQMWBKBKMT-SSZFMOIBSA-N
Compound name
(4Z)-4-hydroxyimino-2-methyl-2-pentyl-3H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

263.15213 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.159406 160.6
[M+Na]+ 286.141348 167.7
[M-H]- 262.144854 164.3
[M+NH4]+ 281.185953 178.6
[M+K]+ 302.115288 165.3
[M+H-H2O]+ 246.149390 154.6
[M+HCOO]- 308.150331 179.6
[M+CH3COO]- 322.165981 197.7
[M+Na-2H]- 284.126796 166.9
[M]+ 263.15158142 161.8
[M]- 263.15267858 161.8
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

No patent data available for this compound.