CID 12969385

1,8-bis(hydroxymethyl)anthracene

Structural Information

Molecular Formula
C16H14O2
SMILES
C1=CC2=CC3=C(C=C2C(=C1)CO)C(=CC=C3)CO
InChI
InChI=1S/C16H14O2/c17-9-13-5-1-3-11-7-12-4-2-6-14(10-18)16(12)8-15(11)13/h1-8,17-18H,9-10H2
InChIKey
GSHJWFSWKUADLL-UHFFFAOYSA-N
Compound name
[8-(hydroxymethyl)anthracen-1-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

137
Patents

238.09938 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10666 151.4
[M+Na]+ 261.08860 168.1
[M+NH4]+ 256.13320 161.5
[M+K]+ 277.06254 159.2
[M-H]- 237.09210 155.5
[M+Na-2H]- 259.07405 159.6
[M]+ 238.09883 155.2
[M]- 238.09993 155.2
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