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 158.7
[M+Na]+ 276.12127 161.0
[M-H]- 252.12477 163.7
[M+NH4]+ 271.16587 175.6
[M+K]+ 292.09521 161.7
[M+H-H2O]+ 236.12931 151.6
[M+HCOO]- 298.13025 171.0
[M+CH3COO]- 312.14590 191.4
[M+Na-2H]- 274.10672 157.8
[M]+ 253.13150 153.4
[M]- 253.13260 153.4
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.