CID 4111451

126651-70-5

Structural Information

Molecular Formula
C9H17N3O2S
SMILES
CCOC(=O)NC(=S)N1CCN(CC1)C
InChI
InChI=1S/C9H17N3O2S/c1-3-14-9(13)10-8(15)12-6-4-11(2)5-7-12/h3-7H2,1-2H3,(H,10,13,15)
InChIKey
BYRDGJCUGSMICY-UHFFFAOYSA-N
Compound name
ethyl N-(4-methylpiperazine-1-carbothioyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

231.10414 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.111416 152.9
[M+Na]+ 254.093358 157.6
[M-H]- 230.096864 153.0
[M+NH4]+ 249.137963 168.4
[M+K]+ 270.067298 155.8
[M+H-H2O]+ 214.101400 145.5
[M+HCOO]- 276.102341 165.0
[M+CH3COO]- 290.117991 189.0
[M+Na-2H]- 252.078806 152.5
[M]+ 231.10359142 151.3
[M]- 231.10468858 151.3
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