CID 24261848

3-(4-ethyl-1,3-thiazol-2-yl)propan-1-amine

Structural Information

Molecular Formula
C8H14N2S
SMILES
CCC1=CSC(=N1)CCCN
InChI
InChI=1S/C8H14N2S/c1-2-7-6-11-8(10-7)4-3-5-9/h6H,2-5,9H2,1H3
InChIKey
MQMWHVJIHAGXDX-UHFFFAOYSA-N
Compound name
3-(4-ethyl-1,3-thiazol-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.08777 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.09505 136.0
[M+Na]+ 193.07699 144.3
[M-H]- 169.08049 138.1
[M+NH4]+ 188.12159 157.4
[M+K]+ 209.05093 141.5
[M+H-H2O]+ 153.08503 129.7
[M+HCOO]- 215.08597 155.4
[M+CH3COO]- 229.10162 180.2
[M+Na-2H]- 191.06244 137.5
[M]+ 170.08722 137.6
[M]- 170.08832 137.6
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.