CID 500509

[1-[[(2-amino-6-methyl-pyrimidin-4-yl)amino]methyl]cyclobutyl]methanol

Structural Information

Molecular Formula
C11H18N4O
SMILES
CC1=CC(=NC(=N1)N)NCC2(CCC2)CO
InChI
InChI=1S/C11H18N4O/c1-8-5-9(15-10(12)14-8)13-6-11(7-16)3-2-4-11/h5,16H,2-4,6-7H2,1H3,(H3,12,13,14,15)
InChIKey
ZGCMRTBTEOBOFH-UHFFFAOYSA-N
Compound name
[1-[[(2-amino-6-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.14806 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.15534 154.6
[M+Na]+ 245.13728 159.8
[M-H]- 221.14078 156.7
[M+NH4]+ 240.18188 164.3
[M+K]+ 261.11122 159.8
[M+H-H2O]+ 205.14532 141.2
[M+HCOO]- 267.14626 174.0
[M+CH3COO]- 281.16191 194.5
[M+Na-2H]- 243.12273 159.7
[M]+ 222.14751 160.1
[M]- 222.14861 160.1
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

No patent data available for this compound.