CID 57370453

Ehbt

Structural Information

Molecular Formula

C₉H₁₁NO₂

SMILES

CCN1CC2=C(O1)C(=CC=C2)O

InChI

InChI=1S/C9H11NO2/c1-2-10-6-7-4-3-5-8(11)9(7)12-10/h3-5,11H,2,6H2,1H3

InChIKey

CTYJGUDXWIAZCM-UHFFFAOYSA-N

Compound name

2-ethyl-3H-1,2-benzoxazol-7-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 165.07898 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	166.086256	132.3
[M+Na]+	188.068198	141.7
[M-H]-	164.071704	135.2
[M+NH4]+	183.112803	153.0
[M+K]+	204.042138	140.3
[M+H-H2O]+	148.076240	126.9
[M+HCOO]-	210.077181	152.9
[M+CH3COO]-	224.092831	175.3
[M+Na-2H]-	186.053646	139.2
[M]+	165.07843142	133.3
[M]-	165.07952858	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe