CID 155819608

2470439-66-6

Structural Information

Molecular Formula
C9H14BrN3
SMILES
CC(C)N1C(=C(C(=N1)C2CC2)Br)N
InChI
InChI=1S/C9H14BrN3/c1-5(2)13-9(11)7(10)8(12-13)6-3-4-6/h5-6H,3-4,11H2,1-2H3
InChIKey
CEUUYODXWAUPLJ-UHFFFAOYSA-N
Compound name
4-bromo-5-cyclopropyl-2-propan-2-ylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.03711 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.04439 150.1
[M+Na]+ 266.02633 164.2
[M-H]- 242.02983 157.7
[M+NH4]+ 261.07093 166.0
[M+K]+ 282.00027 151.3
[M+H-H2O]+ 226.03437 148.4
[M+HCOO]- 288.03531 170.3
[M+CH3COO]- 302.05096 196.2
[M+Na-2H]- 264.01178 153.3
[M]+ 243.03656 169.2
[M]- 243.03766 169.2
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.