CID 10583319

N-(prop-2-yn-1-yl)benzo[d]oxazol-2-amine

Structural Information

Molecular Formula

C₁₀H₈N₂O

SMILES

C#CCNC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C10H8N2O/c1-2-7-11-10-12-8-5-3-4-6-9(8)13-10/h1,3-6H,7H2,(H,11,12)

InChIKey

WQKUMFCKLGKQJU-UHFFFAOYSA-N

Compound name

N-prop-2-ynyl-1,3-benzoxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 90
Patents: 172.06366 Da
Monoisotopic Mass: 1.9
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]+	173.07094	138.2
[M+Na]+	195.05288	151.3
[M+NH4]+	190.09748	143.4
[M+K]+	211.02682	143.0
[M-H]-	171.05638	133.5
[M+Na-2H]-	193.03833	141.8
[M]+	172.06311	137.9
[M]-	172.06421	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe