CID 756359

Brn 4257521

Structural Information

Molecular Formula
C11H17N3S2
SMILES
CN1CCCC1=NC(=S)CN2CCCC2=S
InChI
InChI=1S/C11H17N3S2/c1-13-6-2-4-9(13)12-10(15)8-14-7-3-5-11(14)16/h2-8H2,1H3
InChIKey
XDOZNEFYNRZMJR-UHFFFAOYSA-N
Compound name
N-(1-methylpyrrolidin-2-ylidene)-2-(2-sulfanylidenepyrrolidin-1-yl)ethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

255.0864 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09368 160.3
[M+Na]+ 278.07562 167.5
[M-H]- 254.07912 165.4
[M+NH4]+ 273.12022 179.7
[M+K]+ 294.04956 163.8
[M+H-H2O]+ 238.08366 153.7
[M+HCOO]- 300.08460 170.5
[M+CH3COO]- 314.10025 195.1
[M+Na-2H]- 276.06107 154.1
[M]+ 255.08585 158.4
[M]- 255.08695 158.4
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

patents stripe