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]+ 218.132156 151.8
[M+Na]+ 240.114098 155.6
[M-H]- 216.117604 152.3
[M+NH4]+ 235.158703 170.2
[M+K]+ 256.088038 153.9
[M+H-H2O]+ 200.122140 144.6
[M+HCOO]- 262.123081 171.2
[M+CH3COO]- 276.138731 196.5
[M+Na-2H]- 238.099546 151.9
[M]+ 217.12433142 153.0
[M]- 217.12542858 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.