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

10
Patents

202.01056 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.01784 135.7
[M+Na]+ 224.99978 148.4
[M-H]- 201.00328 139.6
[M+NH4]+ 220.04438 158.0
[M+K]+ 240.97372 138.1
[M+H-H2O]+ 185.00782 135.1
[M+HCOO]- 247.00876 156.8
[M+CH3COO]- 261.02441 182.6
[M+Na-2H]- 222.98523 143.0
[M]+ 202.01001 155.6
[M]- 202.01111 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