CID 53421437

(4-aminopyrimidin-2-yl)methanol

Structural Information

Molecular Formula
C5H7N3O
SMILES
C1=CN=C(N=C1N)CO
InChI
InChI=1S/C5H7N3O/c6-4-1-2-7-5(3-9)8-4/h1-2,9H,3H2,(H2,6,7,8)
InChIKey
XSUMVOZBKJPGII-UHFFFAOYSA-N
Compound name
(4-aminopyrimidin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

125.058914 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.06619 122.3
[M+Na]+ 148.04813 134.4
[M+NH4]+ 143.09274 129.9
[M+K]+ 164.02207 129.4
[M-H]- 124.05164 123.2
[M+Na-2H]- 146.03358 129.1
[M]+ 125.05837 124.0
[M]- 125.05946 124.0
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