CID 4738816

1-(5-bromo-2-methoxyphenyl)piperazine hydrochloride

Structural Information

Molecular Formula
C11H15BrN2O
SMILES
COC1=C(C=C(C=C1)Br)N2CCNCC2
InChI
InChI=1S/C11H15BrN2O/c1-15-11-3-2-9(12)8-10(11)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChIKey
ZJOFYZGLRSDPRN-UHFFFAOYSA-N
Compound name
1-(5-bromo-2-methoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

270.03677 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.044046 153.3
[M+Na]+ 293.025988 162.5
[M-H]- 269.029494 158.0
[M+NH4]+ 288.070593 170.1
[M+K]+ 308.999928 150.8
[M+H-H2O]+ 253.034030 151.8
[M+HCOO]- 315.034971 168.4
[M+CH3COO]- 329.050621 191.0
[M+Na-2H]- 291.011436 159.1
[M]+ 270.03622142 167.5
[M]- 270.03731858 167.5
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