CID 23006263

893639-05-9

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

C1CCC2=C(C1)C(=NO2)CN

InChI

InChI=1S/C8H12N2O/c9-5-7-6-3-1-2-4-8(6)11-10-7/h1-5,9H2

InChIKey

FKSNGQGSTFVDQX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 152.09496 Da
Monoisotopic Mass: 0.5
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]+	153.102236	130.0
[M+Na]+	175.084178	137.4
[M-H]-	151.087684	133.1
[M+NH4]+	170.128783	150.9
[M+K]+	191.058118	136.4
[M+H-H2O]+	135.092220	123.8
[M+HCOO]-	197.093161	151.1
[M+CH3COO]-	211.108811	143.5
[M+Na-2H]-	173.069626	136.9
[M]+	152.09441142	127.5
[M]-	152.09550858	127.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe