CID 366074

Nsc634287

Structural Information

Molecular Formula
C18H24N2OSi
SMILES
CN(CC#N)C1CCCC1(C#C[Si](C)(C)C2=CC=CC=C2)O
InChI
InChI=1S/C18H24N2OSi/c1-20(14-13-19)17-10-7-11-18(17,21)12-15-22(2,3)16-8-5-4-6-9-16/h4-6,8-9,17,21H,7,10-11,14H2,1-3H3
InChIKey
HZDPFCFMGGFONQ-UHFFFAOYSA-N
Compound name
2-[[2-[2-[dimethyl(phenyl)silyl]ethynyl]-2-hydroxycyclopentyl]-methylamino]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1658 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.17308 187.3
[M+Na]+ 335.15502 196.1
[M-H]- 311.15852 191.0
[M+NH4]+ 330.19962 199.3
[M+K]+ 351.12896 188.3
[M+H-H2O]+ 295.16306 172.0
[M+HCOO]- 357.16400 195.6
[M+CH3COO]- 371.17965 226.2
[M+Na-2H]- 333.14047 185.6
[M]+ 312.16525 177.5
[M]- 312.16635 177.5
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.