CID 3079892

Brn 4251283

Structural Information

Molecular Formula
C10H17N3S2
SMILES
CC(=NC(=S)CN1CCCC1=S)N(C)C
InChI
InChI=1S/C10H17N3S2/c1-8(12(2)3)11-9(14)7-13-6-4-5-10(13)15/h4-7H2,1-3H3
InChIKey
PKSUINQQTRCQIK-UHFFFAOYSA-N
Compound name
N-[1-(dimethylamino)ethylidene]-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.0864 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09368 156.5
[M+Na]+ 266.07562 162.1
[M-H]- 242.07912 160.8
[M+NH4]+ 261.12022 175.8
[M+K]+ 282.04956 159.5
[M+H-H2O]+ 226.08366 149.4
[M+HCOO]- 288.08460 168.2
[M+CH3COO]- 302.10025 200.0
[M+Na-2H]- 264.06107 152.5
[M]+ 243.08585 156.8
[M]- 243.08695 156.8
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.