CID 57885769

(5-methyl-1,3-oxazol-4-yl)methanamine

Structural Information

Molecular Formula
C5H8N2O
SMILES
CC1=C(N=CO1)CN
InChI
InChI=1S/C5H8N2O/c1-4-5(2-6)7-3-8-4/h3H,2,6H2,1H3
InChIKey
HHGLDCRFUVVQBP-UHFFFAOYSA-N
Compound name
(5-methyl-1,3-oxazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

112.06366 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 119.6
[M+Na]+ 135.05288 130.8
[M+NH4]+ 130.09748 128.0
[M+K]+ 151.02682 127.9
[M-H]- 111.05638 122.2
[M+Na-2H]- 133.03833 125.1
[M]+ 112.06311 121.7
[M]- 112.06421 121.7
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