CID 112714

Usaf b-88

Structural Information

Molecular Formula
C9H19N3OS
SMILES
CCCCNCCSC(=NC(=O)C)N
InChI
InChI=1S/C9H19N3OS/c1-3-4-5-11-6-7-14-9(10)12-8(2)13/h11H,3-7H2,1-2H3,(H2,10,12,13)
InChIKey
QZVGWWLRXWHGNJ-UHFFFAOYSA-N
Compound name
2-(butylamino)ethyl N'-acetylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.12488 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.13216 152.3
[M+Na]+ 240.11410 157.8
[M+NH4]+ 235.15870 158.7
[M+K]+ 256.08804 151.3
[M-H]- 216.11760 152.5
[M+Na-2H]- 238.09955 153.6
[M]+ 217.12433 153.0
[M]- 217.12543 153.0
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.