CID 54248

1-(3-(dimethyl(2-thienyl)silyl)propyl)hexahydro-1h-azepine hydrochloride

Structural Information

Molecular Formula
C15H27NSSi
SMILES
C[Si](C)(CCCN1CCCCCC1)C2=CC=CS2
InChI
InChI=1S/C15H27NSSi/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
IJWZJDLPIDOHDH-UHFFFAOYSA-N
Compound name
3-(azepan-1-yl)propyl-dimethyl-thiophen-2-ylsilane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.16336 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.17064 167.1
[M+Na]+ 304.15258 168.6
[M-H]- 280.15608 171.8
[M+NH4]+ 299.19718 182.9
[M+K]+ 320.12652 168.8
[M+H-H2O]+ 264.16062 159.7
[M+HCOO]- 326.16156 178.8
[M+CH3COO]- 340.17721 197.0
[M+Na-2H]- 302.13803 165.3
[M]+ 281.16281 162.4
[M]- 281.16391 162.4
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.