CID 113658

Pseudourea, 2-(2-aminoethyl)-1,3-dimethyl-2-thio-, dihydrobromide

Structural Information

Molecular Formula
C5H13N3S
SMILES
CNC(=NC)SCCN
InChI
InChI=1S/C5H13N3S/c1-7-5(8-2)9-4-3-6/h3-4,6H2,1-2H3,(H,7,8)
InChIKey
KGJIPEISKJAWDY-UHFFFAOYSA-N
Compound name
2-aminoethyl N,N'-dimethylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.08302 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.09030 132.0
[M+Na]+ 170.07224 139.1
[M+NH4]+ 165.11684 140.1
[M+K]+ 186.04618 132.4
[M-H]- 146.07574 133.4
[M+Na-2H]- 168.05769 135.2
[M]+ 147.08247 133.4
[M]- 147.08357 133.4
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.