CID 66234209

1795189-24-0

Structural Information

Molecular Formula
C6H13NOS
SMILES
CC1CCS(=O)CCN1
InChI
InChI=1S/C6H13NOS/c1-6-2-4-9(8)5-3-7-6/h6-7H,2-5H2,1H3
InChIKey
QPIBDXWIHXCSIZ-UHFFFAOYSA-N
Compound name
5-methyl-1,4-thiazepane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.0718 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07908 127.8
[M+Na]+ 170.06102 136.2
[M+NH4]+ 165.10562 135.7
[M+K]+ 186.03496 130.8
[M-H]- 146.06452 128.6
[M+Na-2H]- 168.04647 131.8
[M]+ 147.07125 129.5
[M]- 147.07235 129.5
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.