CID 64821638

1-amino-3-(4-bromo-1h-pyrazol-1-yl)-2-methylpropan-2-ol

Structural Information

Molecular Formula
C7H12BrN3O
SMILES
CC(CN)(CN1C=C(C=N1)Br)O
InChI
InChI=1S/C7H12BrN3O/c1-7(12,4-9)5-11-3-6(8)2-10-11/h2-3,12H,4-5,9H2,1H3
InChIKey
UHVPVAQPDINJAU-UHFFFAOYSA-N
Compound name
1-amino-3-(4-bromopyrazol-1-yl)-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.01637 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.02365 145.0
[M+Na]+ 256.00559 156.3
[M-H]- 232.00909 147.3
[M+NH4]+ 251.05019 164.7
[M+K]+ 271.97953 145.0
[M+H-H2O]+ 216.01363 143.9
[M+HCOO]- 278.01457 163.5
[M+CH3COO]- 292.03022 186.1
[M+Na-2H]- 253.99104 151.6
[M]+ 233.01582 162.0
[M]- 233.01692 162.0
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.