CID 165693689

2,2-diethoxy-1-isocyanopropane

Structural Information

Molecular Formula
C8H15NO2
SMILES
CCOC(C)(C[N+]#[C-])OCC
InChI
InChI=1S/C8H15NO2/c1-5-10-8(3,7-9-4)11-6-2/h5-7H2,1-3H3
InChIKey
NZBQJSYHIVRJRX-UHFFFAOYSA-N
Compound name
2,2-diethoxy-1-isocyanopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 139.1
[M+Na]+ 180.09950 147.6
[M-H]- 156.10300 138.8
[M+NH4]+ 175.14410 157.6
[M+K]+ 196.07344 142.9
[M+H-H2O]+ 140.10754 133.0
[M+HCOO]- 202.10848 157.2
[M+CH3COO]- 216.12413 182.7
[M+Na-2H]- 178.08495 146.5
[M]+ 157.10973 134.9
[M]- 157.11083 134.9
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.