CID 67458207

1338719-26-8

Structural Information

Molecular Formula
C6H9N3O
SMILES
C1C(CO1)N2C=C(C=N2)N
InChI
InChI=1S/C6H9N3O/c7-5-1-8-9(2-5)6-3-10-4-6/h1-2,6H,3-4,7H2
InChIKey
RKORKXLEGJOTTK-UHFFFAOYSA-N
Compound name
1-(oxetan-3-yl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

139.07455 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 122.2
[M+Na]+ 162.063768 128.9
[M-H]- 138.067274 126.5
[M+NH4]+ 157.108373 134.6
[M+K]+ 178.037708 131.9
[M+H-H2O]+ 122.071810 109.8
[M+HCOO]- 184.072751 143.8
[M+CH3COO]- 198.088401 176.7
[M+Na-2H]- 160.049216 128.7
[M]+ 139.07400142 129.2
[M]- 139.07509858 129.2
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