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]+ 171.095046 136.0
[M+Na]+ 193.076988 144.3
[M-H]- 169.080494 138.1
[M+NH4]+ 188.121593 157.4
[M+K]+ 209.050928 141.5
[M+H-H2O]+ 153.085030 129.7
[M+HCOO]- 215.085971 155.4
[M+CH3COO]- 229.101621 180.2
[M+Na-2H]- 191.062436 137.5
[M]+ 170.08722142 137.6
[M]- 170.08831858 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.