CID 27738

2-((1,4,5,6-tetrahydro-2-pyrimidinyl)thio)ethanamine dihydrobromide

Structural Information

Molecular Formula
C6H15N3S
SMILES
C1CNC(NC1)SCCN
InChI
InChI=1S/C6H15N3S/c7-2-5-10-6-8-3-1-4-9-6/h6,8-9H,1-5,7H2
InChIKey
XALZLFAEHAVCFM-UHFFFAOYSA-N
Compound name
2-(1,3-diazinan-2-ylsulfanyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.09866 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.10594 134.3
[M+Na]+ 184.08788 138.5
[M-H]- 160.09138 130.8
[M+NH4]+ 179.13248 150.7
[M+K]+ 200.06182 134.5
[M+H-H2O]+ 144.09592 127.6
[M+HCOO]- 206.09686 145.0
[M+CH3COO]- 220.11251 171.6
[M+Na-2H]- 182.07333 136.2
[M]+ 161.09811 126.5
[M]- 161.09921 126.5
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.