CID 154705382

1-(5-bromo-4-methylpyrimidin-2-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C6H8BrN3
SMILES
CC1=NC(=NC=C1Br)CN
InChI
InChI=1S/C6H8BrN3/c1-4-5(7)3-9-6(2-8)10-4/h3H,2,8H2,1H3
InChIKey
FDYKRPIRFPYWAY-UHFFFAOYSA-N
Compound name
(5-bromo-4-methylpyrimidin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.99016 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.997436 131.6
[M+Na]+ 223.979378 144.4
[M-H]- 199.982884 135.4
[M+NH4]+ 219.023983 151.8
[M+K]+ 239.953318 133.1
[M+H-H2O]+ 183.987420 130.6
[M+HCOO]- 245.988361 152.5
[M+CH3COO]- 260.004011 184.5
[M+Na-2H]- 221.964826 140.5
[M]+ 200.98961142 149.2
[M]- 200.99070858 149.2
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

No patent data available for this compound.