CID 19616695

1431963-76-6

Structural Information

Molecular Formula
C5H6BrN3O2
SMILES
C1=C(C(=NN1CC(=O)O)N)Br
InChI
InChI=1S/C5H6BrN3O2/c6-3-1-9(2-4(10)11)8-5(3)7/h1H,2H2,(H2,7,8)(H,10,11)
InChIKey
MAJMYYKXYJAGHX-UHFFFAOYSA-N
Compound name
2-(3-amino-4-bromopyrazol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.96434 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.97162 135.6
[M+Na]+ 241.95356 148.0
[M-H]- 217.95706 138.4
[M+NH4]+ 236.99816 155.8
[M+K]+ 257.92750 137.2
[M+H-H2O]+ 201.96160 134.4
[M+HCOO]- 263.96254 155.7
[M+CH3COO]- 277.97819 183.2
[M+Na-2H]- 239.93901 140.9
[M]+ 218.96379 152.9
[M]- 218.96489 152.9
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.