CID 54242

1-(3-(2-furyldimethylsilyl)propyl)hexahydro-1h-azepine hydrochloride

Structural Information

Molecular Formula
C15H27NOSi
SMILES
C[Si](C)(CCCN1CCCCCC1)C2=CC=CO2
InChI
InChI=1S/C15H27NOSi/c1-18(2,15-9-7-13-17-15)14-8-12-16-10-5-3-4-6-11-16/h7,9,13H,3-6,8,10-12,14H2,1-2H3
InChIKey
PRQBUBVOIOEXCF-UHFFFAOYSA-N
Compound name
3-(azepan-1-yl)propyl-(furan-2-yl)-dimethylsilane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1862 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.19348 160.3
[M+Na]+ 288.17542 161.7
[M-H]- 264.17892 165.4
[M+NH4]+ 283.22002 174.9
[M+K]+ 304.14936 163.4
[M+H-H2O]+ 248.18346 152.8
[M+HCOO]- 310.18440 176.1
[M+CH3COO]- 324.20005 195.3
[M+Na-2H]- 286.16087 162.8
[M]+ 265.18565 155.4
[M]- 265.18675 155.4
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.