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

119
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 125.0
[M+Na]+ 152.06820 132.5
[M-H]- 128.07170 126.8
[M+NH4]+ 147.11280 147.7
[M+K]+ 168.04214 132.9
[M+H-H2O]+ 112.07624 119.9
[M+HCOO]- 174.07718 152.3
[M+CH3COO]- 188.09283 176.2
[M+Na-2H]- 150.05365 133.0
[M]+ 129.07843 128.9
[M]- 129.07953 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