CID 365822

Nsc633897

Structural Information

Molecular Formula
C16H27NO3Si
SMILES
COC(=O)N1CCCCC(C1=O)CCC#CC[Si](C)(C)C
InChI
InChI=1S/C16H27NO3Si/c1-20-16(19)17-12-8-7-11-14(15(17)18)10-6-5-9-13-21(2,3)4/h14H,6-8,10-13H2,1-4H3
InChIKey
QODRZPKYXHWHDG-UHFFFAOYSA-N
Compound name
methyl 2-oxo-3-(5-trimethylsilylpent-3-ynyl)azepane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.17603 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18331 164.1
[M+Na]+ 332.16525 168.7
[M-H]- 308.16875 165.0
[M+NH4]+ 327.20985 175.9
[M+K]+ 348.13919 169.8
[M+H-H2O]+ 292.17329 152.0
[M+HCOO]- 354.17423 173.9
[M+CH3COO]- 368.18988 209.1
[M+Na-2H]- 330.15070 163.4
[M]+ 309.17548 156.8
[M]- 309.17658 156.8
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.