CID 15430779

1-ethoxy-3-isocyanatopropane

Structural Information

Molecular Formula
C6H11NO2
SMILES
CCOCCCN=C=O
InChI
InChI=1S/C6H11NO2/c1-2-9-5-3-4-7-6-8/h2-5H2,1H3
InChIKey
YTCZSDNDGWZYNK-UHFFFAOYSA-N
Compound name
1-ethoxy-3-isocyanatopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
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 125.0
[M+Na]+ 152.068198 132.5
[M-H]- 128.071704 126.8
[M+NH4]+ 147.112803 147.7
[M+K]+ 168.042138 132.9
[M+H-H2O]+ 112.076240 119.9
[M+HCOO]- 174.077181 152.3
[M+CH3COO]- 188.092831 176.2
[M+Na-2H]- 150.053646 133.0
[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

patents stripe