CID 165653345

(2-isocyano-1,1-dimethoxyethyl)cyclopropane

Structural Information

Molecular Formula
C8H13NO2
SMILES
COC(C[N+]#[C-])(C1CC1)OC
InChI
InChI=1S/C8H13NO2/c1-9-6-8(10-2,11-3)7-4-5-7/h7H,4-6H2,2-3H3
InChIKey
CXNGBYZANLJGOT-UHFFFAOYSA-N
Compound name
(2-isocyano-1,1-dimethoxyethyl)cyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 135.5
[M+Na]+ 178.08386 147.6
[M+NH4]+ 173.12846 141.1
[M+K]+ 194.05780 142.5
[M-H]- 154.08736 136.2
[M+Na-2H]- 176.06931 140.1
[M]+ 155.09409 137.6
[M]- 155.09519 137.6
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.