CID 63871926

3-[(5-bromopyrimidin-2-yl)oxy]propan-1-amine hydrochloride

Structural Information

Molecular Formula
C7H10BrN3O
SMILES
C1=C(C=NC(=N1)OCCCN)Br
InChI
InChI=1S/C7H10BrN3O/c8-6-4-10-7(11-5-6)12-3-1-2-9/h4-5H,1-3,9H2
InChIKey
VDLGNGISIFTYDE-UHFFFAOYSA-N
Compound name
3-(5-bromopyrimidin-2-yl)oxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.00072 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.00800 138.5
[M+Na]+ 253.98994 149.8
[M-H]- 229.99344 141.7
[M+NH4]+ 249.03454 157.1
[M+K]+ 269.96388 138.7
[M+H-H2O]+ 213.99798 136.8
[M+HCOO]- 275.99892 159.3
[M+CH3COO]- 290.01457 188.1
[M+Na-2H]- 251.97539 147.5
[M]+ 231.00017 157.3
[M]- 231.00127 157.3
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

No patent data available for this compound.