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

2
Patents

270.03677 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.04405 153.3
[M+Na]+ 293.02599 162.5
[M-H]- 269.02949 158.0
[M+NH4]+ 288.07059 170.1
[M+K]+ 308.99993 150.8
[M+H-H2O]+ 253.03403 151.8
[M+HCOO]- 315.03497 168.4
[M+CH3COO]- 329.05062 191.0
[M+Na-2H]- 291.01144 159.1
[M]+ 270.03622 167.5
[M]- 270.03732 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