CID 6477674

2-hydroxy-3-[(1e)-pent-1-enyl]naphthoquinone

Structural Information

Molecular Formula
C15H14O3
SMILES
CCC/C=C/C1=C(C2=CC=CC=C2C(=O)C1=O)O
InChI
InChI=1S/C15H14O3/c1-2-3-4-9-12-13(16)10-7-5-6-8-11(10)14(17)15(12)18/h4-9,16H,2-3H2,1H3/b9-4+
InChIKey
IWYWLMSBOHYXNV-RUDMXATFSA-N
Compound name
4-hydroxy-3-[(E)-pent-1-enyl]naphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.0943 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.10158 151.8
[M+Na]+ 265.08352 161.1
[M-H]- 241.08702 155.4
[M+NH4]+ 260.12812 170.4
[M+K]+ 281.05746 156.3
[M+H-H2O]+ 225.09156 146.0
[M+HCOO]- 287.09250 172.5
[M+CH3COO]- 301.10815 192.3
[M+Na-2H]- 263.06897 156.0
[M]+ 242.09375 153.1
[M]- 242.09485 153.1
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

No patent data available for this compound.