CID 205377

1-(3-aminopropyl)silatrane

Structural Information

Molecular Formula
C9H20N2O3Si
SMILES
C1CO[Si]2(OCCN1CCO2)CCCN
InChI
InChI=1S/C9H20N2O3Si/c10-2-1-9-15-12-6-3-11(4-7-13-15)5-8-14-15/h1-10H2
InChIKey
BVWMLPXXYGTRHW-UHFFFAOYSA-N
Compound name
3-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

93
Patents

232.12431 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.13159 114.6
[M+Na]+ 255.11353 114.7
[M-H]- 231.11703 114.6
[M+NH4]+ 250.15813 114.6
[M+K]+ 271.08747 114.7
[M+H-H2O]+ 215.12157 114.5
[M+HCOO]- 277.12251 114.6
[M+CH3COO]- 291.13816 114.6
[M+Na-2H]- 253.09898 114.5
[M]+ 232.12376 114.6
[M]- 232.12486 114.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe