CID 83240982

1427012-49-4

Structural Information

Molecular Formula
C7H11BrN2
SMILES
CC(C)CN1C(=CC=N1)Br
InChI
InChI=1S/C7H11BrN2/c1-6(2)5-10-7(8)3-4-9-10/h3-4,6H,5H2,1-2H3
InChIKey
YUWRPYZOXLGDTB-UHFFFAOYSA-N
Compound name
5-bromo-1-(2-methylpropyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.01056 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.01784 136.4
[M+Na]+ 224.99978 148.8
[M-H]- 201.00328 140.5
[M+NH4]+ 220.04438 158.7
[M+K]+ 240.97372 138.9
[M+H-H2O]+ 185.00782 135.9
[M+HCOO]- 247.00876 156.6
[M+CH3COO]- 261.02441 183.4
[M+Na-2H]- 222.98523 142.6
[M]+ 202.01001 155.7
[M]- 202.01111 155.7
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.