CID 137937685

2248360-99-6

Structural Information

Molecular Formula
C9H14BrN3O2
SMILES
CC(C)(C)OC(=O)CN1C(=C(C=N1)Br)N
InChI
InChI=1S/C9H14BrN3O2/c1-9(2,3)15-7(14)5-13-8(11)6(10)4-12-13/h4H,5,11H2,1-3H3
InChIKey
ZEMDIXZGXJEOQL-UHFFFAOYSA-N
Compound name
tert-butyl 2-(5-amino-4-bromopyrazol-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.02695 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.03423 154.7
[M+Na]+ 298.01617 166.5
[M-H]- 274.01967 158.6
[M+NH4]+ 293.06077 173.8
[M+K]+ 313.99011 156.1
[M+H-H2O]+ 258.02421 153.5
[M+HCOO]- 320.02515 173.5
[M+CH3COO]- 334.04080 195.9
[M+Na-2H]- 296.00162 159.2
[M]+ 275.02640 174.5
[M]- 275.02750 174.5
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.