CID 572714

1742-25-2

Structural Information

Molecular Formula
C6H9N3O
SMILES
C1=CN=C(N=C1)NCCO
InChI
InChI=1S/C6H9N3O/c10-5-4-9-6-7-2-1-3-8-6/h1-3,10H,4-5H2,(H,7,8,9)
InChIKey
KTMJYEXQVZXYKE-UHFFFAOYSA-N
Compound name
2-(pyrimidin-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

82
Patents

139.07455 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 126.7
[M+Na]+ 162.063768 134.1
[M-H]- 138.067274 126.2
[M+NH4]+ 157.108373 144.5
[M+K]+ 178.037708 132.1
[M+H-H2O]+ 122.071810 119.4
[M+HCOO]- 184.072751 149.4
[M+CH3COO]- 198.088401 171.8
[M+Na-2H]- 160.049216 136.5
[M]+ 139.07400142 125.3
[M]- 139.07509858 125.3
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