CID 777

73-67-6

Structural Information

Molecular Formula
C6H9N3O
SMILES
CC1=NC=C(C(=N1)N)CO
InChI
InChI=1S/C6H9N3O/c1-4-8-2-5(3-10)6(7)9-4/h2,10H,3H2,1H3,(H2,7,8,9)
InChIKey
VUTBELPREDJDDH-UHFFFAOYSA-N
Compound name
(4-amino-2-methylpyrimidin-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

67
References

2836
Patents

139.07455 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 127.7
[M+Na]+ 162.06377 137.2
[M-H]- 138.06727 127.6
[M+NH4]+ 157.10837 146.1
[M+K]+ 178.03771 134.8
[M+H-H2O]+ 122.07181 121.1
[M+HCOO]- 184.07275 149.8
[M+CH3COO]- 198.08840 173.5
[M+Na-2H]- 160.04922 134.9
[M]+ 139.07400 126.2
[M]- 139.07510 126.2
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.