CID 135493731

85748-55-6

Structural Information

Molecular Formula
C11H16N4S
SMILES
C/C(=N\NC(=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)/b13-9+
InChIKey
DHYCUAXPRSHGFA-UKTHLTGXSA-N
Compound name
N-[(E)-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]+ 237.116846 155.7
[M+Na]+ 259.098788 160.6
[M-H]- 235.102294 159.7
[M+NH4]+ 254.143393 174.0
[M+K]+ 275.072728 157.7
[M+H-H2O]+ 219.106830 147.6
[M+HCOO]- 281.107771 172.6
[M+CH3COO]- 295.123421 190.8
[M+Na-2H]- 257.084236 154.0
[M]+ 236.10902142 151.9
[M]- 236.11011858 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.