CID 26967051

Methyl 2-(4-bromo-1h-pyrazol-1-yl)acetate

Structural Information

Molecular Formula
C6H7BrN2O2
SMILES
COC(=O)CN1C=C(C=N1)Br
InChI
InChI=1S/C6H7BrN2O2/c1-11-6(10)4-9-3-5(7)2-8-9/h2-3H,4H2,1H3
InChIKey
YLIKWVCFKYAWBV-UHFFFAOYSA-N
Compound name
methyl 2-(4-bromopyrazol-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

217.96909 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.976366 135.6
[M+Na]+ 240.958308 148.5
[M-H]- 216.961814 139.9
[M+NH4]+ 236.002913 157.1
[M+K]+ 256.932248 139.2
[M+H-H2O]+ 200.966350 135.0
[M+HCOO]- 262.967291 156.7
[M+CH3COO]- 276.982941 182.7
[M+Na-2H]- 238.943756 142.3
[M]+ 217.96854142 156.5
[M]- 217.96963858 156.5
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

patents stripe