CID 55295521

1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine dihydrochloride

Structural Information

Molecular Formula
C6H11N3S
SMILES
CC1=NC(=CS1)C(CN)N
InChI
InChI=1S/C6H11N3S/c1-4-9-6(3-10-4)5(8)2-7/h3,5H,2,7-8H2,1H3
InChIKey
UZNHKDKVSKTIHY-UHFFFAOYSA-N
Compound name
1-(2-methyl-1,3-thiazol-4-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

157.06737 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.07465 131.5
[M+Na]+ 180.05659 139.4
[M-H]- 156.06009 133.4
[M+NH4]+ 175.10119 152.6
[M+K]+ 196.03053 137.0
[M+H-H2O]+ 140.06463 125.1
[M+HCOO]- 202.06557 150.8
[M+CH3COO]- 216.08122 179.2
[M+Na-2H]- 178.04204 132.4
[M]+ 157.06682 130.0
[M]- 157.06792 130.0
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.