CID 54244

1-((2-thienyldimethylsilyl)methyl)hexahydro-1h-azepine hydrochloride

Structural Information

Molecular Formula
C13H23NSSi
SMILES
C[Si](C)(CN1CCCCCC1)C2=CC=CS2
InChI
InChI=1S/C13H23NSSi/c1-16(2,13-8-7-11-15-13)12-14-9-5-3-4-6-10-14/h7-8,11H,3-6,9-10,12H2,1-2H3
InChIKey
GXJGRDVORXTPGC-UHFFFAOYSA-N
Compound name
azepan-1-ylmethyl-dimethyl-thiophen-2-ylsilane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.13205 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.13933 160.6
[M+Na]+ 276.12127 168.7
[M+NH4]+ 271.16587 169.0
[M+K]+ 292.09521 163.0
[M-H]- 252.12477 163.4
[M+Na-2H]- 274.10672 165.7
[M]+ 253.13150 163.0
[M]- 253.13260 163.0
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.