CID 45791463

4-(3-bromopropyl)-1-methyl-1h-pyrazole

Structural Information

Molecular Formula
C7H11BrN2
SMILES
CN1C=C(C=N1)CCCBr
InChI
InChI=1S/C7H11BrN2/c1-10-6-7(5-9-10)3-2-4-8/h5-6H,2-4H2,1H3
InChIKey
IFOGCDKQKBWMGC-UHFFFAOYSA-N
Compound name
4-(3-bromopropyl)-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

202.01056 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.017836 135.7
[M+Na]+ 224.999778 148.4
[M-H]- 201.003284 139.6
[M+NH4]+ 220.044383 158.0
[M+K]+ 240.973718 138.1
[M+H-H2O]+ 185.007820 135.1
[M+HCOO]- 247.008761 156.8
[M+CH3COO]- 261.024411 182.6
[M+Na-2H]- 222.985226 143.0
[M]+ 202.01001142 155.6
[M]- 202.01110858 155.6
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

patents stripe