CID 56264

91553-92-3

Structural Information

Molecular Formula
C12H19NO2
SMILES
C#CCC1CCCCCCC1OC(=O)N
InChI
InChI=1S/C12H19NO2/c1-2-7-10-8-5-3-4-6-9-11(10)15-12(13)14/h1,10-11H,3-9H2,(H2,13,14)
InChIKey
UMEKLLKXLKXVJK-UHFFFAOYSA-N
Compound name
(2-prop-2-ynylcyclooctyl) carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.14159 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 148.4
[M+Na]+ 232.13081 151.1
[M+NH4]+ 227.17541 149.7
[M+K]+ 248.10475 149.7
[M-H]- 208.13431 146.5
[M+Na-2H]- 230.11626 149.8
[M]+ 209.14104 147.8
[M]- 209.14214 147.8
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.