CID 151021749

1-(isocyanatomethyl)cyclohex-1-ene

Structural Information

Molecular Formula
C8H11NO
SMILES
C1CCC(=CC1)CN=C=O
InChI
InChI=1S/C8H11NO/c10-7-9-6-8-4-2-1-3-5-8/h4H,1-3,5-6H2
InChIKey
LYFCAQKUWRJORT-UHFFFAOYSA-N
Compound name
1-(isocyanatomethyl)cyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

137.08406 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 129.0
[M+Na]+ 160.07328 140.3
[M+NH4]+ 155.11788 138.0
[M+K]+ 176.04722 133.2
[M-H]- 136.07678 131.9
[M+Na-2H]- 158.05873 135.8
[M]+ 137.08351 131.2
[M]- 137.08461 131.2
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