CID 23239

Benzoxazole, 2-ethyl-

Structural Information

Molecular Formula
C9H9NO
SMILES
CCC1=NC2=CC=CC=C2O1
InChI
InChI=1S/C9H9NO/c1-2-9-10-7-5-3-4-6-8(7)11-9/h3-6H,2H2,1H3
InChIKey
YPIFLXOVPCARGI-UHFFFAOYSA-N
Compound name
2-ethyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

482
Patents

147.06842 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 125.7
[M+Na]+ 170.05764 136.7
[M-H]- 146.06114 130.4
[M+NH4]+ 165.10224 147.8
[M+K]+ 186.03158 135.4
[M+H-H2O]+ 130.06568 120.0
[M+HCOO]- 192.06662 150.5
[M+CH3COO]- 206.08227 141.4
[M+Na-2H]- 168.04309 135.7
[M]+ 147.06787 129.6
[M]- 147.06897 129.6
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