CID 66545193

(2-amino-4,6-dichloropyrimidin-5-yl)methanol

Structural Information

Molecular Formula
C5H5Cl2N3O
SMILES
C(C1=C(N=C(N=C1Cl)N)Cl)O
InChI
InChI=1S/C5H5Cl2N3O/c6-3-2(1-11)4(7)10-5(8)9-3/h11H,1H2,(H2,8,9,10)
InChIKey
KNCSWCBPUXNVMR-UHFFFAOYSA-N
Compound name
(2-amino-4,6-dichloropyrimidin-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

192.98097 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.98825 133.7
[M+Na]+ 215.97019 145.1
[M-H]- 191.97369 132.9
[M+NH4]+ 211.01479 151.2
[M+K]+ 231.94413 140.0
[M+H-H2O]+ 175.97823 128.6
[M+HCOO]- 237.97917 146.2
[M+CH3COO]- 251.99482 180.4
[M+Na-2H]- 213.95564 139.3
[M]+ 192.98042 134.7
[M]- 192.98152 134.7
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