CID 218954

41416-60-8

Structural Information

Molecular Formula
C16H19NO2
SMILES
C#CC(C1CCC(CC1)C2=CC=CC=C2)OC(=O)N
InChI
InChI=1S/C16H19NO2/c1-2-15(19-16(17)18)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h1,3-7,13-15H,8-11H2,(H2,17,18)
InChIKey
RFUFMOJFRJZNJU-UHFFFAOYSA-N
Compound name
1-(4-phenylcyclohexyl)prop-2-ynyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.14157 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.148846 164.9
[M+Na]+ 280.130788 170.9
[M-H]- 256.134294 167.8
[M+NH4]+ 275.175393 178.6
[M+K]+ 296.104728 165.2
[M+H-H2O]+ 240.138830 151.6
[M+HCOO]- 302.139771 177.9
[M+CH3COO]- 316.155421 203.6
[M+Na-2H]- 278.116236 164.1
[M]+ 257.14102142 154.2
[M]- 257.14211858 154.2
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

No patent data available for this compound.