CID 114279

Benzoxazolium, 2-methyl-3-(phenylmethyl)-, bromide

Structural Information

Molecular Formula
C15H14NO
SMILES
CC1=[N+](C2=CC=CC=C2O1)CC3=CC=CC=C3
InChI
InChI=1S/C15H14NO/c1-12-16(11-13-7-3-2-4-8-13)14-9-5-6-10-15(14)17-12/h2-10H,11H2,1H3/q+1
InChIKey
SZVLKGFHRKVKAG-UHFFFAOYSA-N
Compound name
3-benzyl-2-methyl-1,3-benzoxazol-3-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

224.10754 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11482 145.9
[M+Na]+ 247.09676 165.1
[M+NH4]+ 242.14136 157.2
[M+K]+ 263.07070 158.8
[M-H]- 223.10026 154.3
[M+Na-2H]- 245.08221 157.1
[M]+ 224.10699 151.7
[M]- 224.10809 151.7
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

patents stripe