CID 20434518

(1-isocyanatoethyl)cyclopropane

Structural Information

Molecular Formula
C6H9NO
SMILES
CC(C1CC1)N=C=O
InChI
InChI=1S/C6H9NO/c1-5(7-4-8)6-2-3-6/h5-6H,2-3H2,1H3
InChIKey
CCUKTYMNNZTPJT-UHFFFAOYSA-N
Compound name
1-isocyanatoethylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

111.06841 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 122.6
[M+Na]+ 134.05763 134.3
[M+NH4]+ 129.10223 131.6
[M+K]+ 150.03157 130.3
[M-H]- 110.06113 131.0
[M+Na-2H]- 132.04308 130.8
[M]+ 111.06786 127.5
[M]- 111.06896 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