CID 54240

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

Structural Information

Molecular Formula
C14H25NOSi
SMILES
C[Si](C)(CCN1CCCCCC1)C2=CC=CO2
InChI
InChI=1S/C14H25NOSi/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
SAHQKDYZDFKMBN-UHFFFAOYSA-N
Compound name
2-(azepan-1-yl)ethyl-(furan-2-yl)-dimethylsilane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.17055 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17783 155.8
[M+Na]+ 274.15977 157.6
[M-H]- 250.16327 161.1
[M+NH4]+ 269.20437 170.9
[M+K]+ 290.13371 159.6
[M+H-H2O]+ 234.16781 148.6
[M+HCOO]- 296.16875 172.0
[M+CH3COO]- 310.18440 192.5
[M+Na-2H]- 272.14522 158.8
[M]+ 251.17000 150.6
[M]- 251.17110 150.6
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.