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]+ 158.117556 139.1
[M+Na]+ 180.099498 147.6
[M-H]- 156.103004 138.8
[M+NH4]+ 175.144103 157.6
[M+K]+ 196.073438 142.9
[M+H-H2O]+ 140.107540 133.0
[M+HCOO]- 202.108481 157.2
[M+CH3COO]- 216.124131 182.7
[M+Na-2H]- 178.084946 146.5
[M]+ 157.10973142 134.9
[M]- 157.11082858 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.