CID 19896984

1083396-36-4

Structural Information

Molecular Formula
C5H8N2O
SMILES
CC(C1=NC=CO1)N
InChI
InChI=1S/C5H8N2O/c1-4(6)5-7-2-3-8-5/h2-4H,6H2,1H3
InChIKey
CWJDVDQXFIORGV-UHFFFAOYSA-N
Compound name
1-(1,3-oxazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

112.06366 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.070936 120.4
[M+Na]+ 135.052878 128.3
[M-H]- 111.056384 123.1
[M+NH4]+ 130.097483 141.6
[M+K]+ 151.026818 129.0
[M+H-H2O]+ 95.060920 114.3
[M+HCOO]- 157.061861 144.4
[M+CH3COO]- 171.077511 168.8
[M+Na-2H]- 133.038326 127.3
[M]+ 112.06311142 119.6
[M]- 112.06420858 119.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe