CID 45602050

1174849-23-0

Structural Information

Molecular Formula
C8H10N4O
SMILES
CN1C=C(C=N1)C2=NOC(=C2)CN
InChI
InChI=1S/C8H10N4O/c1-12-5-6(4-10-12)8-2-7(3-9)13-11-8/h2,4-5H,3,9H2,1H3
InChIKey
FRUCQESCGLXUNR-UHFFFAOYSA-N
Compound name
[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.08546 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.09274 134.9
[M+Na]+ 201.07468 147.3
[M+NH4]+ 196.11928 142.1
[M+K]+ 217.04862 146.3
[M-H]- 177.07818 137.9
[M+Na-2H]- 199.06013 141.8
[M]+ 178.08491 137.3
[M]- 178.08601 137.3
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

No patent data available for this compound.