CID 113976

Usaf b-108

Structural Information

Molecular Formula
C11H23N3OS
SMILES
CCCCCCCC(=O)N=C(N)SCCN
InChI
InChI=1S/C11H23N3OS/c1-2-3-4-5-6-7-10(15)14-11(13)16-9-8-12/h2-9,12H2,1H3,(H2,13,14,15)
InChIKey
VOGQNQTUUSFAAO-UHFFFAOYSA-N
Compound name
2-aminoethyl N'-octanoylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.15619 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.163466 160.4
[M+Na]+ 268.145408 163.4
[M-H]- 244.148914 159.9
[M+NH4]+ 263.190013 177.4
[M+K]+ 284.119348 160.8
[M+H-H2O]+ 228.153450 152.8
[M+HCOO]- 290.154391 178.6
[M+CH3COO]- 304.170041 201.9
[M+Na-2H]- 266.130856 158.5
[M]+ 245.15564142 161.3
[M]- 245.15673858 161.3
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.