CID 1646801

1742-29-6

Structural Information

Molecular Formula
C8H13N3O
SMILES
CC1=CC(=NC(=N1)NCCO)C
InChI
InChI=1S/C8H13N3O/c1-6-5-7(2)11-8(10-6)9-3-4-12/h5,12H,3-4H2,1-2H3,(H,9,10,11)
InChIKey
ILBZSWSRACAXTH-UHFFFAOYSA-N
Compound name
2-[(4,6-dimethylpyrimidin-2-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

167.10587 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.113146 136.3
[M+Na]+ 190.095088 144.8
[M-H]- 166.098594 136.3
[M+NH4]+ 185.139693 153.8
[M+K]+ 206.069028 142.3
[M+H-H2O]+ 150.103130 129.2
[M+HCOO]- 212.104071 158.3
[M+CH3COO]- 226.119721 180.2
[M+Na-2H]- 188.080536 143.5
[M]+ 167.10532142 136.5
[M]- 167.10641858 136.5
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