CID 21118815

Dtxsid70887502

Structural Information

Molecular Formula
C13H28N2S
SMILES
CCCCNC(=NCCCC)SCCCC
InChI
InChI=1S/C13H28N2S/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3,(H,14,15)
InChIKey
MLKBENYCPLKCCC-UHFFFAOYSA-N
Compound name
butyl N,N'-dibutylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.19733 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.20461 162.7
[M+Na]+ 267.18655 165.9
[M-H]- 243.19005 163.2
[M+NH4]+ 262.23115 181.0
[M+K]+ 283.16049 163.3
[M+H-H2O]+ 227.19459 155.5
[M+HCOO]- 289.19553 181.2
[M+CH3COO]- 303.21118 202.4
[M+Na-2H]- 265.17200 162.5
[M]+ 244.19678 167.3
[M]- 244.19788 167.3
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.