CID 54224143

2-(1,2-oxazol-5-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C5H8N2O
SMILES
C1=C(ON=C1)CCN
InChI
InChI=1S/C5H8N2O/c6-3-1-5-2-4-7-8-5/h2,4H,1,3,6H2
InChIKey
QERJFBGPSMQXGL-UHFFFAOYSA-N
Compound name
2-(1,2-oxazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

112.06366 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.070936 119.3
[M+Na]+ 135.052878 127.5
[M-H]- 111.056384 121.9
[M+NH4]+ 130.097483 140.6
[M+K]+ 151.026818 127.8
[M+H-H2O]+ 95.060920 113.2
[M+HCOO]- 157.061861 144.3
[M+CH3COO]- 171.077511 168.0
[M+Na-2H]- 133.038326 127.5
[M]+ 112.06311142 119.2
[M]- 112.06420858 119.2
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