CID 154643257

3-(5-bromopyrimidin-2-yl)propan-1-ol

Structural Information

Molecular Formula
C7H9BrN2O
SMILES
C1=C(C=NC(=N1)CCCO)Br
InChI
InChI=1S/C7H9BrN2O/c8-6-4-9-7(10-5-6)2-1-3-11/h4-5,11H,1-3H2
InChIKey
HZWGOPOVNOLRDS-UHFFFAOYSA-N
Compound name
3-(5-bromopyrimidin-2-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

215.98982 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.997096 135.3
[M+Na]+ 238.979038 147.2
[M-H]- 214.982544 137.9
[M+NH4]+ 234.023643 154.6
[M+K]+ 254.952978 136.1
[M+H-H2O]+ 198.987080 134.7
[M+HCOO]- 260.988021 154.4
[M+CH3COO]- 275.003671 181.8
[M+Na-2H]- 236.964486 144.6
[M]+ 215.98927142 154.2
[M]- 215.99036858 154.2
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