CID 36841

Teaei

Structural Information

Molecular Formula
C9H22N3S
SMILES
CC[N+](CC)(CC)CCSC(=N)N
InChI
InChI=1S/C9H22N3S/c1-4-12(5-2,6-3)7-8-13-9(10)11/h4-8H2,1-3H3,(H3,10,11)/q+1
InChIKey
DRNOMFMICOLNOD-UHFFFAOYSA-N
Compound name
2-carbamimidoylsulfanylethyl(triethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

204.15344 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.16072 142.4
[M+Na]+ 227.14266 146.5
[M-H]- 203.14616 143.3
[M+NH4]+ 222.18726 161.5
[M+K]+ 243.11660 139.2
[M+H-H2O]+ 187.15070 139.0
[M+HCOO]- 249.15164 160.6
[M+CH3COO]- 263.16729 189.2
[M+Na-2H]- 225.12811 147.0
[M]+ 204.15289 141.2
[M]- 204.15399 141.2
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.