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

95
Patents

129.07898 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 126.4
[M+Na]+ 152.06820 136.4
[M+NH4]+ 147.11280 134.0
[M+K]+ 168.04214 130.4
[M-H]- 128.07170 126.3
[M+Na-2H]- 150.05365 130.7
[M]+ 129.07843 127.5
[M]- 129.07953 127.5
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