CID 193440

7730-23-6

Structural Information

Molecular Formula
C5H7N3O
SMILES
C1=C(C(=NC=N1)N)CO
InChI
InChI=1S/C5H7N3O/c6-5-4(2-9)1-7-3-8-5/h1,3,9H,2H2,(H2,6,7,8)
InChIKey
QDTXMVZKZLJQRY-UHFFFAOYSA-N
Compound name
(4-aminopyrimidin-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

14
Patents

125.058914 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.06619 122.9
[M+Na]+ 148.04813 131.8
[M-H]- 124.05164 122.6
[M+NH4]+ 143.09274 141.5
[M+K]+ 164.02207 129.7
[M+H-H2O]+ 108.05617 116.2
[M+HCOO]- 170.05712 145.4
[M+CH3COO]- 184.07276 169.3
[M+Na-2H]- 146.03358 131.4
[M]+ 125.05837 120.6
[M]- 125.05946 120.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe