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

literature stripe

Patent stripe

patents stripe