CID 113858

Dtxsid40980291

Structural Information

Molecular Formula
C16H15NO
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C(CN)O
InChI
InChI=1S/C16H15NO/c17-10-16(18)13-7-8-15-12(9-13)6-5-11-3-1-2-4-14(11)15/h1-9,16,18H,10,17H2
InChIKey
UWMSFKCJEMVSTJ-UHFFFAOYSA-N
Compound name
2-amino-1-phenanthren-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.11537 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.122646 151.4
[M+Na]+ 260.104588 159.9
[M-H]- 236.108094 155.4
[M+NH4]+ 255.149193 170.2
[M+K]+ 276.078528 154.4
[M+H-H2O]+ 220.112630 144.8
[M+HCOO]- 282.113571 172.8
[M+CH3COO]- 296.129221 163.7
[M+Na-2H]- 258.090036 159.7
[M]+ 237.11482142 150.8
[M]- 237.11591858 150.8
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

No patent data available for this compound.