CID 21155859

Ns00048842

Structural Information

Molecular Formula
C9H11NO
SMILES
CCN1CC2=CC=CC=C2O1
InChI
InChI=1S/C9H11NO/c1-2-10-7-8-5-3-4-6-9(8)11-10/h3-6H,2,7H2,1H3
InChIKey
YNWNTRDUDTWVIN-UHFFFAOYSA-N
Compound name
2-ethyl-3H-1,2-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

149.08406 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.091336 128.7
[M+Na]+ 172.073278 137.6
[M-H]- 148.076784 132.6
[M+NH4]+ 167.117883 150.5
[M+K]+ 188.047218 136.7
[M+H-H2O]+ 132.081320 122.9
[M+HCOO]- 194.082261 150.6
[M+CH3COO]- 208.097911 143.2
[M+Na-2H]- 170.058726 136.7
[M]+ 149.08351142 129.7
[M]- 149.08460858 129.7
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

No patent data available for this compound.