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 131.0
[M+Na]+ 178.08386 145.2
[M-H]- 154.08736 136.2
[M+NH4]+ 173.12846 146.9
[M+K]+ 194.05780 136.7
[M+H-H2O]+ 138.09190 126.7
[M+HCOO]- 200.09284 151.3
[M+CH3COO]- 214.10849 184.6
[M+Na-2H]- 176.06931 140.9
[M]+ 155.09409 129.6
[M]- 155.09519 129.6
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.