CID 27740

Ethanamine, n,n-dimethyl-2-((1,4,5,6-tetrahydro-2-pyrimidinyl)thio)-, dihydrochloride

Structural Information

Molecular Formula
C8H19N3S
SMILES
CN(C)CCSC1NCCCN1
InChI
InChI=1S/C8H19N3S/c1-11(2)6-7-12-8-9-4-3-5-10-8/h8-10H,3-7H2,1-2H3
InChIKey
VSACVIVGDOKPEW-UHFFFAOYSA-N
Compound name
2-(1,3-diazinan-2-ylsulfanyl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.12997 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.13725 142.5
[M+Na]+ 212.11919 150.6
[M+NH4]+ 207.16379 150.3
[M+K]+ 228.09313 143.4
[M-H]- 188.12269 143.3
[M+Na-2H]- 210.10464 145.8
[M]+ 189.12942 144.0
[M]- 189.13052 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.