CID 61733536

2-(5-amino-4-bromo-3-methyl-1h-pyrazol-1-yl)ethan-1-ol

Structural Information

Molecular Formula
C6H10BrN3O
SMILES
CC1=NN(C(=C1Br)N)CCO
InChI
InChI=1S/C6H10BrN3O/c1-4-5(7)6(8)10(9-4)2-3-11/h11H,2-3,8H2,1H3
InChIKey
XRFYMKCTYOJTQC-UHFFFAOYSA-N
Compound name
2-(5-amino-4-bromo-3-methylpyrazol-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.00072 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.00800 138.4
[M+Na]+ 241.98994 151.5
[M-H]- 217.99344 141.2
[M+NH4]+ 237.03454 159.1
[M+K]+ 257.96388 140.0
[M+H-H2O]+ 201.99798 137.3
[M+HCOO]- 263.99892 158.7
[M+CH3COO]- 278.01457 185.2
[M+Na-2H]- 239.97539 143.6
[M]+ 219.00017 156.3
[M]- 219.00127 156.3
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.