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 134.3
[M+Na]+ 201.07468 145.3
[M-H]- 177.07818 138.6
[M+NH4]+ 196.11928 152.4
[M+K]+ 217.04862 143.9
[M+H-H2O]+ 161.08272 126.2
[M+HCOO]- 223.08366 159.4
[M+CH3COO]- 237.09931 148.7
[M+Na-2H]- 199.06013 139.8
[M]+ 178.08491 136.9
[M]- 178.08601 136.9
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.