CID 10020060

54581-50-9

Structural Information

Molecular Formula
C14H14NO
SMILES
CC[N+]1=C(OC2=C1C=CC3=CC=CC=C32)C
InChI
InChI=1S/C14H14NO/c1-3-15-10(2)16-14-12-7-5-4-6-11(12)8-9-13(14)15/h4-9H,3H2,1-2H3/q+1
InChIKey
UZTJAPJGQCOEEY-UHFFFAOYSA-N
Compound name
3-ethyl-2-methylbenzo[g][1,3]benzoxazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.10754 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11482 141.9
[M+Na]+ 235.09676 160.7
[M+NH4]+ 230.14136 153.5
[M+K]+ 251.07070 154.8
[M-H]- 211.10026 148.8
[M+Na-2H]- 233.08221 150.4
[M]+ 212.10699 147.3
[M]- 212.10809 147.3
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.