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 143.0
[M+Na]+ 212.11919 146.5
[M-H]- 188.12269 141.2
[M+NH4]+ 207.16379 159.2
[M+K]+ 228.09313 143.8
[M+H-H2O]+ 172.12723 135.7
[M+HCOO]- 234.12817 154.1
[M+CH3COO]- 248.14382 181.7
[M+Na-2H]- 210.10464 144.3
[M]+ 189.12942 138.2
[M]- 189.13052 138.2
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.