CID 12279158

2-(1,2-benzoxazol-3-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H10N2O
SMILES
C1=CC=C2C(=C1)C(=NO2)CCN
InChI
InChI=1S/C9H10N2O/c10-6-5-8-7-3-1-2-4-9(7)12-11-8/h1-4H,5-6,10H2
InChIKey
RZYHISJCGQYICX-UHFFFAOYSA-N
Compound name
2-(1,2-benzoxazol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

162.07932 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 130.3
[M+Na]+ 185.06854 140.4
[M-H]- 161.07204 134.4
[M+NH4]+ 180.11314 151.2
[M+K]+ 201.04248 138.6
[M+H-H2O]+ 145.07658 124.1
[M+HCOO]- 207.07752 155.5
[M+CH3COO]- 221.09317 145.1
[M+Na-2H]- 183.05399 139.7
[M]+ 162.07877 132.5
[M]- 162.07987 132.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe