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]+ 238.162166 151.3
[M+Na]+ 260.144108 153.6
[M-H]- 236.147614 156.9
[M+NH4]+ 255.188713 167.0
[M+K]+ 276.118048 155.8
[M+H-H2O]+ 220.152150 144.3
[M+HCOO]- 282.153091 167.8
[M+CH3COO]- 296.168741 189.7
[M+Na-2H]- 258.129556 154.9
[M]+ 237.15434142 145.8
[M]- 237.15543858 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.