CID 28710820

2-[2-(pyrrolidin-1-yl)-1,3-thiazol-4-yl]ethan-1-amine

Structural Information

Molecular Formula
C9H15N3S
SMILES
C1CCN(C1)C2=NC(=CS2)CCN
InChI
InChI=1S/C9H15N3S/c10-4-3-8-7-13-9(11-8)12-5-1-2-6-12/h7H,1-6,10H2
InChIKey
YJQMXQDBUPFSBV-UHFFFAOYSA-N
Compound name
2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.09866 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.105936 142.8
[M+Na]+ 220.087878 150.4
[M-H]- 196.091384 146.7
[M+NH4]+ 215.132483 163.2
[M+K]+ 236.061818 147.8
[M+H-H2O]+ 180.095920 135.5
[M+HCOO]- 242.096861 160.5
[M+CH3COO]- 256.112511 155.3
[M+Na-2H]- 218.073326 141.9
[M]+ 197.09811142 141.3
[M]- 197.09920858 141.3
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.