CID 104226386

2-[2-(cyclopentylsulfanyl)pyrimidin-5-yl]ethan-1-amine

Structural Information

Molecular Formula
C11H17N3S
SMILES
C1CCC(C1)SC2=NC=C(C=N2)CCN
InChI
InChI=1S/C11H17N3S/c12-6-5-9-7-13-11(14-8-9)15-10-3-1-2-4-10/h7-8,10H,1-6,12H2
InChIKey
JGXQYZFORWYJBN-UHFFFAOYSA-N
Compound name
2-(2-cyclopentylsulfanylpyrimidin-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.11432 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.121596 149.0
[M+Na]+ 246.103538 155.7
[M-H]- 222.107044 152.2
[M+NH4]+ 241.148143 166.5
[M+K]+ 262.077478 151.6
[M+H-H2O]+ 206.111580 141.0
[M+HCOO]- 268.112521 165.2
[M+CH3COO]- 282.128171 160.4
[M+Na-2H]- 244.088986 149.7
[M]+ 223.11377142 147.1
[M]- 223.11486858 147.1
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.