CID 4301538

85748-55-6

Structural Information

Molecular Formula
C11H16N4S
SMILES
CC(=NNC(=S)N1CCCC1)C2=CC=CN2
InChI
InChI=1S/C11H16N4S/c1-9(10-5-4-6-12-10)13-14-11(16)15-7-2-3-8-15/h4-6,12H,2-3,7-8H2,1H3,(H,14,16)
InChIKey
DHYCUAXPRSHGFA-UHFFFAOYSA-N
Compound name
N-[1-(1H-pyrrol-2-yl)ethylideneamino]pyrrolidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.10957 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11685 155.7
[M+Na]+ 259.09879 160.6
[M-H]- 235.10229 159.7
[M+NH4]+ 254.14339 174.0
[M+K]+ 275.07273 157.7
[M+H-H2O]+ 219.10683 147.6
[M+HCOO]- 281.10777 172.6
[M+CH3COO]- 295.12342 190.8
[M+Na-2H]- 257.08424 154.0
[M]+ 236.10902 151.9
[M]- 236.11012 151.9
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.