CID 5207560

2-(4-cyclopropyl-1,3-thiazol-2-yl)ethan-1-amine

Structural Information

Molecular Formula
C8H12N2S
SMILES
C1CC1C2=CSC(=N2)CCN
InChI
InChI=1S/C8H12N2S/c9-4-3-8-10-7(5-11-8)6-1-2-6/h5-6H,1-4,9H2
InChIKey
YQIQHBJQTNUVCL-UHFFFAOYSA-N
Compound name
2-(4-cyclopropyl-1,3-thiazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.07211 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07939 130.0
[M+Na]+ 191.06133 140.2
[M-H]- 167.06483 136.2
[M+NH4]+ 186.10593 146.5
[M+K]+ 207.03527 136.2
[M+H-H2O]+ 151.06937 123.3
[M+HCOO]- 213.07031 150.1
[M+CH3COO]- 227.08596 182.0
[M+Na-2H]- 189.04678 132.6
[M]+ 168.07156 132.8
[M]- 168.07266 132.8
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.