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

80
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 122.3
[M+Na]+ 146.05763 128.7
[M-H]- 122.06113 127.0
[M+NH4]+ 141.10223 144.8
[M+K]+ 162.03157 128.0
[M+H-H2O]+ 106.06567 116.6
[M+HCOO]- 168.06661 147.9
[M+CH3COO]- 182.08226 173.0
[M+Na-2H]- 144.04308 130.5
[M]+ 123.06786 119.7
[M]- 123.06896 119.7
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