CID 51111767

1125867-14-2

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

C1CC1NC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C10H10N2O/c1-2-4-9-8(3-1)12-10(13-9)11-7-5-6-7/h1-4,7H,5-6H2,(H,11,12)

InChIKey

RBWTZZBBNZQPIN-UHFFFAOYSA-N

Compound name

N-cyclopropyl-1,3-benzoxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 174.07932 Da
Monoisotopic Mass: 2.4
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]+	175.08660	133.4
[M+Na]+	197.06854	145.0
[M-H]-	173.07204	141.7
[M+NH4]+	192.11314	149.0
[M+K]+	213.04248	142.1
[M+H-H2O]+	157.07658	126.5
[M+HCOO]-	219.07752	159.0
[M+CH3COO]-	233.09317	148.0
[M+Na-2H]-	195.05399	143.3
[M]+	174.07877	137.9
[M]-	174.07987	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe