CID 55207698

5-methyl-1,4-thiazepane hydrochloride

Structural Information

Molecular Formula
C6H13NS
SMILES
CC1CCSCCN1
InChI
InChI=1S/C6H13NS/c1-6-2-4-8-5-3-7-6/h6-7H,2-5H2,1H3
InChIKey
JDZGEWJZJFNIGZ-UHFFFAOYSA-N
Compound name
5-methyl-1,4-thiazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.07687 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.08415 124.1
[M+Na]+ 154.06609 126.9
[M-H]- 130.06959 125.2
[M+NH4]+ 149.11069 142.6
[M+K]+ 170.04003 129.3
[M+H-H2O]+ 114.07413 118.3
[M+HCOO]- 176.07507 136.5
[M+CH3COO]- 190.09072 170.0
[M+Na-2H]- 152.05154 126.3
[M]+ 131.07632 116.2
[M]- 131.07742 116.2
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.