CID 165624626

Rac-(1r,2r)-2-(1,3-thiazol-4-yl)cyclopropan-1-amine dihydrochloride

Structural Information

Molecular Formula
C6H8N2S
SMILES
C1[C@H]([C@@H]1N)C2=CSC=N2
InChI
InChI=1S/C6H8N2S/c7-5-1-4(5)6-2-9-3-8-6/h2-5H,1,7H2/t4-,5-/m1/s1
InChIKey
ZYFSWDDCTIMWHH-RFZPGFLSSA-N
Compound name
trans-(1R,2R)-2-(1,3-thiazol-4-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]+ 141.048096 121.9
[M+Na]+ 163.030038 132.9
[M-H]- 139.033544 128.4
[M+NH4]+ 158.074643 139.5
[M+K]+ 179.003978 129.4
[M+H-H2O]+ 123.038080 115.6
[M+HCOO]- 185.039021 142.7
[M+CH3COO]- 199.054671 136.3
[M+Na-2H]- 161.015486 125.4
[M]+ 140.04027142 124.0
[M]- 140.04136858 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.