CID 114974

9-hydroxymethyl-10-methylanthracene

Structural Information

Molecular Formula
C16H14O
SMILES
CC1=C2C=CC=CC2=C(C3=CC=CC=C13)CO
InChI
InChI=1S/C16H14O/c1-11-12-6-2-4-8-14(12)16(10-17)15-9-5-3-7-13(11)15/h2-9,17H,10H2,1H3
InChIKey
IIJAEVGPROJHIY-UHFFFAOYSA-N
Compound name
(10-methylanthracen-9-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

74
Patents

222.10446 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.111736 147.1
[M+Na]+ 245.093678 157.8
[M-H]- 221.097184 152.1
[M+NH4]+ 240.138283 167.5
[M+K]+ 261.067618 152.1
[M+H-H2O]+ 205.101720 140.8
[M+HCOO]- 267.102661 169.2
[M+CH3COO]- 281.118311 160.7
[M+Na-2H]- 243.079126 156.4
[M]+ 222.10391142 149.1
[M]- 222.10500858 149.1
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