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[2,1-e]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]+ 238.118616 155.5
[M+Na]+ 260.100558 164.6
[M-H]- 236.104064 156.7
[M+NH4]+ 255.145163 174.2
[M+K]+ 276.074498 163.5
[M+H-H2O]+ 220.108600 148.9
[M+HCOO]- 282.109541 173.8
[M+CH3COO]- 296.125191 189.5
[M+Na-2H]- 258.086006 157.9
[M]+ 237.11079142 158.8
[M]- 237.11188858 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.