CID 102154

Usaf b-61

Structural Information

Molecular Formula
C5H13N3S
SMILES
CCN=C(N)SCCN
InChI
InChI=1S/C5H13N3S/c1-2-8-5(7)9-4-3-6/h2-4,6H2,1H3,(H2,7,8)
InChIKey
HPJFNJNFIMWCJS-UHFFFAOYSA-N
Compound name
2-aminoethyl N'-ethylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.08302 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.090296 131.0
[M+Na]+ 170.072238 136.6
[M-H]- 146.075744 131.6
[M+NH4]+ 165.116843 152.0
[M+K]+ 186.046178 135.1
[M+H-H2O]+ 130.080280 124.7
[M+HCOO]- 192.081221 151.6
[M+CH3COO]- 206.096871 182.5
[M+Na-2H]- 168.057686 133.0
[M]+ 147.08247142 129.7
[M]- 147.08356858 129.7
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.