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]+ 146.08118 128.9
[M+Na]+ 168.06312 135.8
[M-H]- 144.06662 130.7
[M+NH4]+ 163.10772 150.7
[M+K]+ 184.03706 137.6
[M+H-H2O]+ 128.07116 123.6
[M+HCOO]- 190.07210 154.4
[M+CH3COO]- 204.08775 179.8
[M+Na-2H]- 166.04857 134.3
[M]+ 145.07335 132.9
[M]- 145.07445 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.