CID 86243127

2-isocyanato-1,1-dimethoxypropane

Structural Information

Molecular Formula
C6H11NO3
SMILES
CC(C(OC)OC)N=C=O
InChI
InChI=1S/C6H11NO3/c1-5(7-4-8)6(9-2)10-3/h5-6H,1-3H3
InChIKey
XSKPXLHSPIQLLU-UHFFFAOYSA-N
Compound name
2-isocyanato-1,1-dimethoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.0739 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.081176 128.9
[M+Na]+ 168.063118 135.8
[M-H]- 144.066624 130.7
[M+NH4]+ 163.107723 150.7
[M+K]+ 184.037058 137.6
[M+H-H2O]+ 128.071160 123.6
[M+HCOO]- 190.072101 154.4
[M+CH3COO]- 204.087751 179.8
[M+Na-2H]- 166.048566 134.3
[M]+ 145.07335142 132.9
[M]- 145.07444858 132.9
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.