CID 216949

1,2-ethanediamine, n-(4,5-dihydro-2-thiazolyl)-, monohydrobromide

Structural Information

Molecular Formula
C5H11N3S
SMILES
C1CSC(=N1)NCCN
InChI
InChI=1S/C5H11N3S/c6-1-2-7-5-8-3-4-9-5/h1-4,6H2,(H,7,8)
InChIKey
NKTYQPVWBSIWOS-UHFFFAOYSA-N
Compound name
N'-(4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.06737 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.07465 127.4
[M+Na]+ 168.05659 134.2
[M-H]- 144.06009 129.2
[M+NH4]+ 163.10119 149.0
[M+K]+ 184.03053 132.3
[M+H-H2O]+ 128.06463 120.8
[M+HCOO]- 190.06557 147.3
[M+CH3COO]- 204.08122 174.5
[M+Na-2H]- 166.04204 130.8
[M]+ 145.06682 125.3
[M]- 145.06792 125.3
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.