CID 113653

63679-80-1

Structural Information

Molecular Formula
C11H25N3S
SMILES
CCCCNC(=NCCCC)SCCN
InChI
InChI=1S/C11H25N3S/c1-3-5-8-13-11(15-10-7-12)14-9-6-4-2/h3-10,12H2,1-2H3,(H,13,14)
InChIKey
WHROXDDCIGZSJJ-UHFFFAOYSA-N
Compound name
2-aminoethyl N,N'-dibutylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.17693 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.18421 157.1
[M+Na]+ 254.16615 160.2
[M-H]- 230.16965 157.1
[M+NH4]+ 249.21075 175.1
[M+K]+ 270.14009 157.6
[M+H-H2O]+ 214.17419 149.6
[M+HCOO]- 276.17513 176.5
[M+CH3COO]- 290.19078 200.6
[M+Na-2H]- 252.15160 157.3
[M]+ 231.17638 158.9
[M]- 231.17748 158.9
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.