CID 28063579

4-(3-aminopropyl)-1,3-thiazol-2-amine dihydrochloride

Structural Information

Molecular Formula
C6H11N3S
SMILES
C1=C(N=C(S1)N)CCCN
InChI
InChI=1S/C6H11N3S/c7-3-1-2-5-4-10-6(8)9-5/h4H,1-3,7H2,(H2,8,9)
InChIKey
IOXZFXWMILDPTH-UHFFFAOYSA-N
Compound name
4-(3-aminopropyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

157.06737 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.074646 130.3
[M+Na]+ 180.056588 138.6
[M-H]- 156.060094 132.1
[M+NH4]+ 175.101193 151.4
[M+K]+ 196.030528 135.6
[M+H-H2O]+ 140.064630 123.8
[M+HCOO]- 202.065571 150.6
[M+CH3COO]- 216.081221 178.4
[M+Na-2H]- 178.042036 132.4
[M]+ 157.06682142 129.4
[M]- 157.06791858 129.4
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

patents stripe