CID 3063091

2-(2-(dimethylamino)ethyl)-1,3,3-trimethyl-2-thiopseudourea dihydrobromide

Structural Information

Molecular Formula
C8H19N3S
SMILES
CN=C(N(C)C)SCCN(C)C
InChI
InChI=1S/C8H19N3S/c1-9-8(11(4)5)12-7-6-10(2)3/h6-7H2,1-5H3
InChIKey
FHIHOLLJYSXYKK-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N,N,N'-trimethylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.12997 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.13725 146.0
[M+Na]+ 212.11919 150.6
[M-H]- 188.12269 150.3
[M+NH4]+ 207.16379 167.3
[M+K]+ 228.09313 152.1
[M+H-H2O]+ 172.12723 138.7
[M+HCOO]- 234.12817 167.8
[M+CH3COO]- 248.14382 199.3
[M+Na-2H]- 210.10464 147.1
[M]+ 189.12942 150.3
[M]- 189.13052 150.3
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.