CID 82502807

(2-methylbenzo[d]oxazol-4-yl)methanamine

Structural Information

Molecular Formula

C₉H₁₀N₂O

SMILES

CC1=NC2=C(C=CC=C2O1)CN

InChI

InChI=1S/C9H10N2O/c1-6-11-9-7(5-10)3-2-4-8(9)12-6/h2-4H,5,10H2,1H3

InChIKey

CSAHQZULFNSEDQ-UHFFFAOYSA-N

Compound name

(2-methyl-1,3-benzoxazol-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 162.07932 Da
Monoisotopic Mass: 1.0
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]+	163.08660	130.6
[M+Na]+	185.06854	144.4
[M+NH4]+	180.11314	139.8
[M+K]+	201.04248	140.0
[M-H]-	161.07204	134.6
[M+Na-2H]-	183.05399	137.3
[M]+	162.07877	133.7
[M]-	162.07987	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe