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]+ 246.16347 160.4
[M+Na]+ 268.14541 163.4
[M-H]- 244.14891 159.9
[M+NH4]+ 263.19001 177.4
[M+K]+ 284.11935 160.8
[M+H-H2O]+ 228.15345 152.8
[M+HCOO]- 290.15439 178.6
[M+CH3COO]- 304.17004 201.9
[M+Na-2H]- 266.13086 158.5
[M]+ 245.15564 161.3
[M]- 245.15674 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.