CID 3446560

13054-47-2

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

C1CCC2=NOC(=C2C1)N

InChI

InChI=1S/C7H10N2O/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4,8H2

InChIKey

CRGVRAUXLNRYKJ-UHFFFAOYSA-N

Compound name

4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 138.07932 Da
Monoisotopic Mass: 1.3
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]+	139.08660	125.3
[M+Na]+	161.06854	133.1
[M-H]-	137.07204	128.6
[M+NH4]+	156.11314	146.8
[M+K]+	177.04248	132.4
[M+H-H2O]+	121.07658	119.4
[M+HCOO]-	183.07752	146.8
[M+CH3COO]-	197.09317	139.2
[M+Na-2H]-	159.05399	132.8
[M]+	138.07877	122.5
[M]-	138.07987	122.5

Literature stripe

literature stripe

Patent stripe

patents stripe