CID 54246

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

Structural Information

Molecular Formula
C14H25NSSi
SMILES
C[Si](C)(CCN1CCCCCC1)C2=CC=CS2
InChI
InChI=1S/C14H25NSSi/c1-17(2,14-8-7-12-16-14)13-11-15-9-5-3-4-6-10-15/h7-8,12H,3-6,9-11,13H2,1-2H3
InChIKey
XMUPECZQUKGQSB-UHFFFAOYSA-N
Compound name
2-(azepan-1-yl)ethyl-dimethyl-thiophen-2-ylsilane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1477 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.15498 162.9
[M+Na]+ 290.13692 164.8
[M-H]- 266.14042 167.8
[M+NH4]+ 285.18152 179.3
[M+K]+ 306.11086 165.2
[M+H-H2O]+ 250.14496 155.7
[M+HCOO]- 312.14590 174.9
[M+CH3COO]- 326.16155 194.2
[M+Na-2H]- 288.12237 161.6
[M]+ 267.14715 157.9
[M]- 267.14825 157.9
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.