CID 145867712

N,4-dimethyl-n-[2-(methylsulfanyl)ethyl]piperazine-1-carboxamide

Structural Information

Molecular Formula
C10H21N3OS
SMILES
CN1CCN(CC1)C(=O)N(C)CCSC
InChI
InChI=1S/C10H21N3OS/c1-11-4-6-13(7-5-11)10(14)12(2)8-9-15-3/h4-9H2,1-3H3
InChIKey
WOSMOLLHLXLROZ-UHFFFAOYSA-N
Compound name
N,4-dimethyl-N-(2-methylsulfanylethyl)piperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.14053 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14781 154.2
[M+Na]+ 254.12975 158.6
[M-H]- 230.13325 155.5
[M+NH4]+ 249.17435 170.5
[M+K]+ 270.10369 157.6
[M+H-H2O]+ 214.13779 146.3
[M+HCOO]- 276.13873 167.1
[M+CH3COO]- 290.15438 194.7
[M+Na-2H]- 252.11520 153.7
[M]+ 231.13998 154.3
[M]- 231.14108 154.3
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

No patent data available for this compound.