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

9
Patents

192.98097 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.988246 133.7
[M+Na]+ 215.970188 145.1
[M-H]- 191.973694 132.9
[M+NH4]+ 211.014793 151.2
[M+K]+ 231.944128 140.0
[M+H-H2O]+ 175.978230 128.6
[M+HCOO]- 237.979171 146.2
[M+CH3COO]- 251.994821 180.4
[M+Na-2H]- 213.955636 139.3
[M]+ 192.98042142 134.7
[M]- 192.98151858 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