CID 63109900

1-isocyanato-3-methoxy-2-methylpropane

Structural Information

Molecular Formula
C6H11NO2
SMILES
CC(CN=C=O)COC
InChI
InChI=1S/C6H11NO2/c1-6(4-9-2)3-7-5-8/h6H,3-4H2,1-2H3
InChIKey
OCMZIAIULBWLPF-UHFFFAOYSA-N
Compound name
1-isocyanato-3-methoxy-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 125.7
[M+Na]+ 152.068198 132.9
[M-H]- 128.071704 127.5
[M+NH4]+ 147.112803 148.3
[M+K]+ 168.042138 133.8
[M+H-H2O]+ 112.076240 120.7
[M+HCOO]- 174.077181 152.0
[M+CH3COO]- 188.092831 176.9
[M+Na-2H]- 150.053646 132.4
[M]+ 129.07843142 128.9
[M]- 129.07952858 128.9
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.