CID 165789393

2301352-49-6

Structural Information

Molecular Formula
C11H15N3O3
SMILES
CC(C)(C)OC(=O)N1CCN2C1=C(C=N2)C=O
InChI
InChI=1S/C11H15N3O3/c1-11(2,3)17-10(16)13-4-5-14-9(13)8(7-15)6-12-14/h6-7H,4-5H2,1-3H3
InChIKey
YUMNBAQNQNGYAI-UHFFFAOYSA-N
Compound name
tert-butyl 7-formyl-2,3-dihydroimidazo[1,2-b]pyrazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.11134 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.11862 155.5
[M+Na]+ 260.10056 164.6
[M-H]- 236.10406 156.7
[M+NH4]+ 255.14516 174.2
[M+K]+ 276.07450 163.5
[M+H-H2O]+ 220.10860 148.9
[M+HCOO]- 282.10954 173.8
[M+CH3COO]- 296.12519 189.5
[M+Na-2H]- 258.08601 157.9
[M]+ 237.11079 158.8
[M]- 237.11189 158.8
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.