CID 130613985

2792201-49-9

Structural Information

Molecular Formula
C6H8BrN3O2
SMILES
COC(=O)CN1C(=C(C=N1)Br)N
InChI
InChI=1S/C6H8BrN3O2/c1-12-5(11)3-10-6(8)4(7)2-9-10/h2H,3,8H2,1H3
InChIKey
RLKSKALJSHIOBH-UHFFFAOYSA-N
Compound name
methyl 2-(5-amino-4-bromopyrazol-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.98 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.98728 146.4
[M+Na]+ 255.96922 147.1
[M+NH4]+ 251.01382 149.2
[M+K]+ 271.94316 150.5
[M-H]- 231.97272 144.5
[M+Na-2H]- 253.95467 146.9
[M]+ 232.97945 144.4
[M]- 232.98055 144.4
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.