CID 11686921

3-(1,3-thiazol-2-yl)propan-1-amine

Structural Information

Molecular Formula
C6H10N2S
SMILES
C1=CSC(=N1)CCCN
InChI
InChI=1S/C6H10N2S/c7-3-1-2-6-8-4-5-9-6/h4-5H,1-3,7H2
InChIKey
FPKQNDZQVDBFLK-UHFFFAOYSA-N
Compound name
3-(1,3-thiazol-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

142.05647 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.063746 127.2
[M+Na]+ 165.045688 135.5
[M-H]- 141.049194 129.3
[M+NH4]+ 160.090293 149.4
[M+K]+ 181.019628 133.3
[M+H-H2O]+ 125.053730 121.0
[M+HCOO]- 187.054671 147.3
[M+CH3COO]- 201.070321 173.0
[M+Na-2H]- 163.031136 130.4
[M]+ 142.05592142 127.7
[M]- 142.05701858 127.7
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

patents stripe