CID 414088

1-(3-bromopropyl)-4-methylpiperazine

Structural Information

Molecular Formula
C8H17BrN2
SMILES
CN1CCN(CC1)CCCBr
InChI
InChI=1S/C8H17BrN2/c1-10-5-7-11(8-6-10)4-2-3-9/h2-8H2,1H3
InChIKey
VGBABRZKSQUDEN-UHFFFAOYSA-N
Compound name
1-(3-bromopropyl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

220.05751 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.06479 143.4
[M+Na]+ 243.04673 152.5
[M-H]- 219.05023 146.1
[M+NH4]+ 238.09133 163.0
[M+K]+ 259.02067 142.2
[M+H-H2O]+ 203.05477 142.5
[M+HCOO]- 265.05571 159.2
[M+CH3COO]- 279.07136 186.3
[M+Na-2H]- 241.03218 149.6
[M]+ 220.05696 158.9
[M]- 220.05806 158.9
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