CID 33735379

1174305-82-8

Structural Information

Molecular Formula
C7H10BrN3O2
SMILES
CCOC(=O)C1=NN(C(=C1Br)N)C
InChI
InChI=1S/C7H10BrN3O2/c1-3-13-7(12)5-4(8)6(9)11(2)10-5/h3,9H2,1-2H3
InChIKey
NSSBDZHCWARRIN-UHFFFAOYSA-N
Compound name
ethyl 5-amino-4-bromo-1-methylpyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.99564 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.00292 143.7
[M+Na]+ 269.98486 156.7
[M-H]- 245.98836 147.8
[M+NH4]+ 265.02946 163.9
[M+K]+ 285.95880 146.2
[M+H-H2O]+ 229.99290 142.3
[M+HCOO]- 291.99384 164.6
[M+CH3COO]- 306.00949 191.7
[M+Na-2H]- 267.97031 147.8
[M]+ 246.99509 163.7
[M]- 246.99619 163.7
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.