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 131.2
[M+Na]+ 170.07224 136.9
[M-H]- 146.07574 132.4
[M+NH4]+ 165.11684 152.6
[M+K]+ 186.04618 135.8
[M+H-H2O]+ 130.08028 124.9
[M+HCOO]- 192.08122 152.5
[M+CH3COO]- 206.09687 182.4
[M+Na-2H]- 168.05769 134.3
[M]+ 147.08247 130.8
[M]- 147.08357 130.8
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.