CID 54847414

1245031-44-0

Structural Information

Molecular Formula
C14H11NO2
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=CC(=NO3)CO
InChI
InChI=1S/C14H11NO2/c16-9-13-8-14(17-15-13)12-6-5-10-3-1-2-4-11(10)7-12/h1-8,16H,9H2
InChIKey
GXLSAFMQEJCNDM-UHFFFAOYSA-N
Compound name
(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.07898 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.086256 146.4
[M+Na]+ 248.068198 157.0
[M-H]- 224.071704 153.0
[M+NH4]+ 243.112803 164.3
[M+K]+ 264.042138 153.4
[M+H-H2O]+ 208.076240 139.3
[M+HCOO]- 270.077181 169.6
[M+CH3COO]- 284.092831 160.3
[M+Na-2H]- 246.053646 154.6
[M]+ 225.07843142 149.4
[M]- 225.07952858 149.4
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.