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]+ 169.079386 130.0
[M+Na]+ 191.061328 140.2
[M-H]- 167.064834 136.2
[M+NH4]+ 186.105933 146.5
[M+K]+ 207.035268 136.2
[M+H-H2O]+ 151.069370 123.3
[M+HCOO]- 213.070311 150.1
[M+CH3COO]- 227.085961 182.0
[M+Na-2H]- 189.046776 132.6
[M]+ 168.07156142 132.8
[M]- 168.07265858 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.