CID 54238

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

Structural Information

Molecular Formula
C13H23NOSi
SMILES
C[Si](C)(CN1CCCCCC1)C2=CC=CO2
InChI
InChI=1S/C13H23NOSi/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
XEBKJNOTZGCYIA-UHFFFAOYSA-N
Compound name
azepan-1-ylmethyl-(furan-2-yl)-dimethylsilane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.15489 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.16217 151.3
[M+Na]+ 260.14411 153.6
[M-H]- 236.14761 156.9
[M+NH4]+ 255.18871 167.0
[M+K]+ 276.11805 155.8
[M+H-H2O]+ 220.15215 144.3
[M+HCOO]- 282.15309 167.8
[M+CH3COO]- 296.16874 189.7
[M+Na-2H]- 258.12956 154.9
[M]+ 237.15434 145.8
[M]- 237.15544 145.8
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.