CID 20396649

5-isocyanatopent-1-ene

Structural Information

Molecular Formula
C6H9NO
SMILES
C=CCCCN=C=O
InChI
InChI=1S/C6H9NO/c1-2-3-4-5-7-6-8/h2H,1,3-5H2
InChIKey
PYHHTRXGWNQGSN-UHFFFAOYSA-N
Compound name
5-isocyanatopent-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

111.06841 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 122.8
[M+Na]+ 134.05763 133.3
[M+NH4]+ 129.10223 130.7
[M+K]+ 150.03157 126.7
[M-H]- 110.06113 123.0
[M+Na-2H]- 132.04308 127.4
[M]+ 111.06786 124.0
[M]- 111.06896 124.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe