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

23
Patents

157.06737 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.07465 130.3
[M+Na]+ 180.05659 138.6
[M-H]- 156.06009 132.1
[M+NH4]+ 175.10119 151.4
[M+K]+ 196.03053 135.6
[M+H-H2O]+ 140.06463 123.8
[M+HCOO]- 202.06557 150.6
[M+CH3COO]- 216.08122 178.4
[M+Na-2H]- 178.04204 132.4
[M]+ 157.06682 129.4
[M]- 157.06792 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