CID 155972996

(2-isocyanatoethoxy)cyclopropane

Structural Information

Molecular Formula
C6H9NO2
SMILES
C1CC1OCCN=C=O
InChI
InChI=1S/C6H9NO2/c8-5-7-3-4-9-6-1-2-6/h6H,1-4H2
InChIKey
NNSPKGLATJGIJY-UHFFFAOYSA-N
Compound name
2-isocyanatoethoxycyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.06333 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 125.7
[M+Na]+ 150.05255 137.2
[M+NH4]+ 145.09715 134.2
[M+K]+ 166.02649 132.9
[M-H]- 126.05605 133.7
[M+Na-2H]- 148.03800 133.7
[M]+ 127.06278 130.4
[M]- 127.06388 130.4
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.