CID 2776306

(5-methyl-3-isoxazolyl)methylamine

Structural Information

Molecular Formula
C5H8N2O
SMILES
CC1=CC(=NO1)CN
InChI
InChI=1S/C5H8N2O/c1-4-2-5(3-6)7-8-4/h2H,3,6H2,1H3
InChIKey
AZVWIMLQRLKLHH-UHFFFAOYSA-N
Compound name
(5-methyl-1,2-oxazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

616
Patents

112.06366 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.07094 119.3
[M+Na]+ 135.05288 128.5
[M-H]- 111.05638 122.3
[M+NH4]+ 130.09748 141.0
[M+K]+ 151.02682 128.7
[M+H-H2O]+ 95.060920 113.5
[M+HCOO]- 157.06186 144.3
[M+CH3COO]- 171.07751 169.1
[M+Na-2H]- 133.03833 126.8
[M]+ 112.06311 119.6
[M]- 112.06421 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