CID 90613

3-isocyanatopropyltriethoxysilane

Structural Information

Molecular Formula
C10H21NO4Si
SMILES
CCO[Si](CCCN=C=O)(OCC)OCC
InChI
InChI=1S/C10H21NO4Si/c1-4-13-16(14-5-2,15-6-3)9-7-8-11-10-12/h4-9H2,1-3H3
InChIKey
FRGPKMWIYVTFIQ-UHFFFAOYSA-N
Compound name
triethoxy(3-isocyanatopropyl)silane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

57
References

34555
Patents

247.12398 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.13126 155.7
[M+Na]+ 270.11320 161.3
[M-H]- 246.11670 156.6
[M+NH4]+ 265.15780 174.2
[M+K]+ 286.08714 161.7
[M+H-H2O]+ 230.12124 149.7
[M+HCOO]- 292.12218 180.2
[M+CH3COO]- 306.13783 195.8
[M+Na-2H]- 268.09865 161.7
[M]+ 247.12343 163.9
[M]- 247.12453 163.9
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