CID 63342861

5-bromo-2-[(piperazin-1-yl)methyl]pyrimidine dihydrochloride

Structural Information

Molecular Formula
C9H13BrN4
SMILES
C1CN(CCN1)CC2=NC=C(C=N2)Br
InChI
InChI=1S/C9H13BrN4/c10-8-5-12-9(13-6-8)7-14-3-1-11-2-4-14/h5-6,11H,1-4,7H2
InChIKey
PVHSIXCKEXHOFI-UHFFFAOYSA-N
Compound name
5-bromo-2-(piperazin-1-ylmethyl)pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

256.03235 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.03963 148.2
[M+Na]+ 279.02157 157.5
[M-H]- 255.02507 150.1
[M+NH4]+ 274.06617 162.7
[M+K]+ 294.99551 145.5
[M+H-H2O]+ 239.02961 145.7
[M+HCOO]- 301.03055 161.3
[M+CH3COO]- 315.04620 160.0
[M+Na-2H]- 277.00702 156.0
[M]+ 256.03180 161.0
[M]- 256.03290 161.0
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