CID 10964485

Cyclohexene, 1-isocyanato-

Structural Information

Molecular Formula
C7H9NO
SMILES
C1CCC(=CC1)N=C=O
InChI
InChI=1S/C7H9NO/c9-6-8-7-4-2-1-3-5-7/h4H,1-3,5H2
InChIKey
HKFODWBNXPUDMY-UHFFFAOYSA-N
Compound name
1-isocyanatocyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

123.06841 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 124.5
[M+Na]+ 146.05763 136.0
[M+NH4]+ 141.10223 133.8
[M+K]+ 162.03157 129.1
[M-H]- 122.06113 127.5
[M+Na-2H]- 144.04308 131.6
[M]+ 123.06786 126.8
[M]- 123.06896 126.8
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