CID 89515737

Rac-(1r,2r)-2-(1,3-thiazol-5-yl)cyclopropan-1-amine dihydrochloride

Structural Information

Molecular Formula
C6H8N2S
SMILES
C1[C@H]([C@@H]1N)C2=CN=CS2
InChI
InChI=1S/C6H8N2S/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2/t4-,5-/m1/s1
InChIKey
NPTJMIOXUYIDPB-RFZPGFLSSA-N
Compound name
(1R,2R)-2-(1,3-thiazol-5-yl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.04082 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.04810 121.9
[M+Na]+ 163.03004 132.9
[M-H]- 139.03354 128.4
[M+NH4]+ 158.07464 139.5
[M+K]+ 179.00398 129.4
[M+H-H2O]+ 123.03808 115.6
[M+HCOO]- 185.03902 142.7
[M+CH3COO]- 199.05467 136.3
[M+Na-2H]- 161.01549 125.4
[M]+ 140.04027 124.0
[M]- 140.04137 124.0
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.