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

6
Patents

162.07932 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.086596 130.3
[M+Na]+ 185.068538 140.4
[M-H]- 161.072044 134.4
[M+NH4]+ 180.113143 151.2
[M+K]+ 201.042478 138.6
[M+H-H2O]+ 145.076580 124.1
[M+HCOO]- 207.077521 155.5
[M+CH3COO]- 221.093171 145.1
[M+Na-2H]- 183.053986 139.7
[M]+ 162.07877142 132.5
[M]- 162.07986858 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