CID 131108599

2375268-87-2

Structural Information

Molecular Formula
C9H18N2OS
SMILES
CN1CCCN(CC1)C(=O)CSC
InChI
InChI=1S/C9H18N2OS/c1-10-4-3-5-11(7-6-10)9(12)8-13-2/h3-8H2,1-2H3
InChIKey
BXGSKGHOZCBBEI-UHFFFAOYSA-N
Compound name
1-(4-methyl-1,4-diazepan-1-yl)-2-methylsulfanylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11398 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.12126 144.0
[M+Na]+ 225.10320 151.8
[M+NH4]+ 220.14780 150.9
[M+K]+ 241.07714 146.4
[M-H]- 201.10670 144.2
[M+Na-2H]- 223.08865 147.1
[M]+ 202.11343 145.4
[M]- 202.11453 145.4
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.