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]+ 224.12160 149.0
[M+Na]+ 246.10354 155.7
[M-H]- 222.10704 152.2
[M+NH4]+ 241.14814 166.5
[M+K]+ 262.07748 151.6
[M+H-H2O]+ 206.11158 141.0
[M+HCOO]- 268.11252 165.2
[M+CH3COO]- 282.12817 160.4
[M+Na-2H]- 244.08899 149.7
[M]+ 223.11377 147.1
[M]- 223.11487 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.