CID 336912

78831-36-4

Structural Information

Molecular Formula
C14H12N2O2
SMILES
C1=CC2=C(C3=C1C=CC(=N3)CO)N=C(C=C2)CO
InChI
InChI=1S/C14H12N2O2/c17-7-11-5-3-9-1-2-10-4-6-12(8-18)16-14(10)13(9)15-11/h1-6,17-18H,7-8H2
InChIKey
IEPOQNOTFLXUPQ-UHFFFAOYSA-N
Compound name
[9-(hydroxymethyl)-1,10-phenanthrolin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

24
Patents

240.08987 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09715 152.1
[M+Na]+ 263.07909 163.0
[M-H]- 239.08259 153.0
[M+NH4]+ 258.12369 168.1
[M+K]+ 279.05303 157.1
[M+H-H2O]+ 223.08713 144.2
[M+HCOO]- 285.08807 170.7
[M+CH3COO]- 299.10372 164.1
[M+Na-2H]- 261.06454 162.0
[M]+ 240.08932 154.0
[M]- 240.09042 154.0
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