CID 118075807

1776066-29-5

Structural Information

Molecular Formula
C10H14BrN3O2
SMILES
CC(C)(C)OC(=O)N1CCN2C1=C(C=N2)Br
InChI
InChI=1S/C10H14BrN3O2/c1-10(2,3)16-9(15)13-4-5-14-8(13)7(11)6-12-14/h6H,4-5H2,1-3H3
InChIKey
PKIOSMBETRQYBN-UHFFFAOYSA-N
Compound name
tert-butyl 7-bromo-2,3-dihydroimidazo[1,2-b]pyrazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

287.02695 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.03423 161.0
[M+Na]+ 310.01617 173.7
[M-H]- 286.01967 165.2
[M+NH4]+ 305.06077 181.6
[M+K]+ 325.99011 164.3
[M+H-H2O]+ 270.02421 160.8
[M+HCOO]- 332.02515 177.4
[M+CH3COO]- 346.04080 194.9
[M+Na-2H]- 308.00162 164.8
[M]+ 287.02640 181.6
[M]- 287.02750 181.6
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