CID 1882615

85826-36-4

Structural Information

Molecular Formula
C10H14ClN3O
SMILES
CC1=NC(=C(C(=N1)Cl)CC=C)NCCO
InChI
InChI=1S/C10H14ClN3O/c1-3-4-8-9(11)13-7(2)14-10(8)12-5-6-15/h3,15H,1,4-6H2,2H3,(H,12,13,14)
InChIKey
IMVWBERKWBAVKJ-UHFFFAOYSA-N
Compound name
2-[(6-chloro-2-methyl-5-prop-2-enylpyrimidin-4-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.08253 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08981 149.9
[M+Na]+ 250.07175 159.3
[M-H]- 226.07525 149.6
[M+NH4]+ 245.11635 165.9
[M+K]+ 266.04569 153.9
[M+H-H2O]+ 210.07979 143.2
[M+HCOO]- 272.08073 166.7
[M+CH3COO]- 286.09638 190.4
[M+Na-2H]- 248.05720 154.7
[M]+ 227.08198 152.2
[M]- 227.08308 152.2
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.