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

2434
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

literature stripe

Patent stripe

patents stripe