CID 29919993

1-(2-bromoethyl)-4-methylpiperazine dihydrobromide

Structural Information

Molecular Formula
C7H15BrN2
SMILES
CN1CCN(CC1)CCBr
InChI
InChI=1S/C7H15BrN2/c1-9-4-6-10(3-2-8)7-5-9/h2-7H2,1H3
InChIKey
BDZFKMQSWMOHKK-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

206.04185 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.04913 138.9
[M+Na]+ 229.03107 148.4
[M-H]- 205.03457 141.8
[M+NH4]+ 224.07567 159.0
[M+K]+ 245.00501 138.4
[M+H-H2O]+ 189.03911 138.2
[M+HCOO]- 251.04005 155.1
[M+CH3COO]- 265.05570 183.5
[M+Na-2H]- 227.01652 145.6
[M]+ 206.04130 154.1
[M]- 206.04240 154.1
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

patents stripe