CID 86931

3-isocyanatopropyldimethylchlorosilane

Structural Information

Molecular Formula
C6H12ClNOSi
SMILES
C[Si](C)(CCCN=C=O)Cl
InChI
InChI=1S/C6H12ClNOSi/c1-10(2,7)5-3-4-8-6-9/h3-5H2,1-2H3
InChIKey
LQJWIXKJNVDYHH-UHFFFAOYSA-N
Compound name
chloro-(3-isocyanatopropyl)-dimethylsilane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

484
Patents

177.03767 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04495 135.7
[M+Na]+ 200.02689 143.9
[M-H]- 176.03039 137.3
[M+NH4]+ 195.07149 158.0
[M+K]+ 216.00083 141.7
[M+H-H2O]+ 160.03493 131.9
[M+HCOO]- 222.03587 156.1
[M+CH3COO]- 236.05152 181.5
[M+Na-2H]- 198.01234 143.0
[M]+ 177.03712 139.7
[M]- 177.03822 139.7
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