CID 159383084

1-isocyano-2,2-dimethoxypropane

Structural Information

Molecular Formula
C6H11NO2
SMILES
CC(C[N+]#[C-])(OC)OC
InChI
InChI=1S/C6H11NO2/c1-6(8-3,9-4)5-7-2/h5H2,1,3-4H3
InChIKey
IVTVYNFNUHGOJC-UHFFFAOYSA-N
Compound name
1-isocyano-2,2-dimethoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.07898 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 124.8
[M+Na]+ 152.06820 136.0
[M+NH4]+ 147.11280 129.6
[M+K]+ 168.04214 130.1
[M-H]- 128.07170 117.9
[M+Na-2H]- 150.05365 126.7
[M]+ 129.07843 123.6
[M]- 129.07953 123.6
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.