CID 19105071

141567-36-4

Structural Information

Molecular Formula
C5H8N2O
SMILES
CC1=NC=C(O1)CN
InChI
InChI=1S/C5H8N2O/c1-4-7-3-5(2-6)8-4/h3H,2,6H2,1H3
InChIKey
FQEVXKSBFMCYTI-UHFFFAOYSA-N
Compound name
(2-methyl-1,3-oxazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
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 119.3
[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

No literature data available for this compound.

Patent stripe

patents stripe