CID 10420098

Nakitriol

Structural Information

Molecular Formula
C11H12O3
SMILES
C=C/C=C(/CO)\C1=C(C=CC(=C1)O)O
InChI
InChI=1S/C11H12O3/c1-2-3-8(7-12)10-6-9(13)4-5-11(10)14/h2-6,12-14H,1,7H2/b8-3-
InChIKey
ZUPUPHLFVHTOID-BAQGIRSFSA-N
Compound name
2-[(2E)-1-hydroxypenta-2,4-dien-2-yl]benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

192.07864 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 141.3
[M+Na]+ 215.06786 148.8
[M-H]- 191.07136 141.2
[M+NH4]+ 210.11246 159.1
[M+K]+ 231.04180 144.6
[M+H-H2O]+ 175.07590 136.4
[M+HCOO]- 237.07684 160.8
[M+CH3COO]- 251.09249 176.6
[M+Na-2H]- 213.05331 144.3
[M]+ 192.07809 139.3
[M]- 192.07919 139.3
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

No patent data available for this compound.