CID 44611835

Resorcinol compound 16

Structural Information

Molecular Formula
C14H16O3
SMILES
CCC1=CC=C(O1)CCC2=C(C=C(C=C2)O)O
InChI
InChI=1S/C14H16O3/c1-2-12-7-8-13(17-12)6-4-10-3-5-11(15)9-14(10)16/h3,5,7-9,15-16H,2,4,6H2,1H3
InChIKey
UPOWUYPZHMWQPH-UHFFFAOYSA-N
Compound name
4-[2-(5-ethylfuran-2-yl)ethyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

232.10994 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.11722 151.4
[M+Na]+ 255.09916 159.9
[M-H]- 231.10266 156.9
[M+NH4]+ 250.14376 169.0
[M+K]+ 271.07310 157.0
[M+H-H2O]+ 215.10720 145.6
[M+HCOO]- 277.10814 173.4
[M+CH3COO]- 291.12379 186.4
[M+Na-2H]- 253.08461 155.0
[M]+ 232.10939 153.8
[M]- 232.11049 153.8
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

patents stripe