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]+ 264.15941 160.6
[M+Na]+ 286.14135 167.7
[M-H]- 262.14485 164.3
[M+NH4]+ 281.18595 178.6
[M+K]+ 302.11529 165.3
[M+H-H2O]+ 246.14939 154.6
[M+HCOO]- 308.15033 179.6
[M+CH3COO]- 322.16598 197.7
[M+Na-2H]- 284.12680 166.9
[M]+ 263.15158 161.8
[M]- 263.15268 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.