CID 83381547

4-bromo-1-isopropyl-5-methyl-1h-pyrazole

Structural Information

Molecular Formula
C7H11BrN2
SMILES
CC1=C(C=NN1C(C)C)Br
InChI
InChI=1S/C7H11BrN2/c1-5(2)10-6(3)7(8)4-9-10/h4-5H,1-3H3
InChIKey
ODWXMADXDUAWSO-UHFFFAOYSA-N
Compound name
4-bromo-5-methyl-1-propan-2-ylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.01056 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.01784 140.2
[M+Na]+ 224.99978 142.9
[M+NH4]+ 220.04438 144.7
[M+K]+ 240.97372 144.8
[M-H]- 201.00328 139.4
[M+Na-2H]- 222.98523 142.3
[M]+ 202.01001 139.1
[M]- 202.01111 139.1
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.