CID 165589847

5-bromo-n-methyl-n-nitrosopyrimidin-2-amine

Structural Information

Molecular Formula
C5H5BrN4O
SMILES
CN(C1=NC=C(C=N1)Br)N=O
InChI
InChI=1S/C5H5BrN4O/c1-10(9-11)5-7-2-4(6)3-8-5/h2-3H,1H3
InChIKey
GGCQDXRSZZRYAG-UHFFFAOYSA-N
Compound name
N-(5-bromopyrimidin-2-yl)-N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.96468 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.97196 129.5
[M+Na]+ 238.95390 141.6
[M-H]- 214.95740 136.3
[M+NH4]+ 233.99850 149.8
[M+K]+ 254.92784 132.8
[M+H-H2O]+ 198.96194 127.2
[M+HCOO]- 260.96288 154.6
[M+CH3COO]- 274.97853 192.6
[M+Na-2H]- 236.93935 140.9
[M]+ 215.96413 150.2
[M]- 215.96523 150.2
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.