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]+ 213.114816 146.5
[M+Na]+ 235.096758 158.3
[M-H]- 211.100264 152.7
[M+NH4]+ 230.141363 167.0
[M+K]+ 251.070698 149.5
[M+H-H2O]+ 195.104800 142.8
[M+HCOO]- 257.105741 169.0
[M+CH3COO]- 271.121391 182.8
[M+Na-2H]- 233.082206 157.2
[M]+ 212.10699142 150.4
[M]- 212.10808858 150.4
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.