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

literature stripe

Patent stripe

patents stripe