CID 15076237

1,5-dimethyl-1h-pyrrole-2-carbothioamide

Structural Information

Molecular Formula
C7H10N2S
SMILES
CC1=CC=C(N1C)C(=S)N
InChI
InChI=1S/C7H10N2S/c1-5-3-4-6(7(8)10)9(5)2/h3-4H,1-2H3,(H2,8,10)
InChIKey
FJBWDQATHDGRDH-UHFFFAOYSA-N
Compound name
1,5-dimethylpyrrole-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

154.05647 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.063746 131.2
[M+Na]+ 177.045688 140.9
[M-H]- 153.049194 134.1
[M+NH4]+ 172.090293 153.4
[M+K]+ 193.019628 138.1
[M+H-H2O]+ 137.053730 125.6
[M+HCOO]- 199.054671 150.0
[M+CH3COO]- 213.070321 178.2
[M+Na-2H]- 175.031136 131.4
[M]+ 154.05592142 131.6
[M]- 154.05701858 131.6
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