CID 3033770

Biuret, 1-butyl-2,4-dithio-

Structural Information

Molecular Formula
C6H13N3S2
SMILES
CCCCNC(=S)NC(=S)N
InChI
InChI=1S/C6H13N3S2/c1-2-3-4-8-6(11)9-5(7)10/h2-4H2,1H3,(H4,7,8,9,10,11)
InChIKey
FJCKCUXTRPERIF-UHFFFAOYSA-N
Compound name
1-butyl-3-carbamothioylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.05508 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06236 139.7
[M+Na]+ 214.04430 144.1
[M-H]- 190.04780 138.6
[M+NH4]+ 209.08890 158.2
[M+K]+ 230.01824 139.7
[M+H-H2O]+ 174.05234 133.0
[M+HCOO]- 236.05328 151.8
[M+CH3COO]- 250.06893 187.7
[M+Na-2H]- 212.02975 138.8
[M]+ 191.05453 137.0
[M]- 191.05563 137.0
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.