CID 512954

(1z)-2-hydroxy-3-(3-methylbut-2-en-1-yl)naphthoquinone 1-oxime

Structural Information

Molecular Formula
C15H15NO3
SMILES
CC(=CCC1=C(C2=CC=CC=C2C(=C1O)N=O)O)C
InChI
InChI=1S/C15H15NO3/c1-9(2)7-8-12-14(17)11-6-4-3-5-10(11)13(16-19)15(12)18/h3-7,17-18H,8H2,1-2H3
InChIKey
TWUIZOCTUIRHBX-UHFFFAOYSA-N
Compound name
2-(3-methylbut-2-enyl)-4-nitrosonaphthalene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.1052 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11248 156.6
[M+Na]+ 280.09442 165.4
[M-H]- 256.09792 160.4
[M+NH4]+ 275.13902 174.2
[M+K]+ 296.06836 161.5
[M+H-H2O]+ 240.10246 150.3
[M+HCOO]- 302.10340 178.5
[M+CH3COO]- 316.11905 198.8
[M+Na-2H]- 278.07987 160.8
[M]+ 257.10465 158.6
[M]- 257.10575 158.6
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.