CID 58083

1-cyclohexylprop-2-ynyl n-phenylcarbamate

Structural Information

Molecular Formula
C16H19NO2
SMILES
C#CC(C1CCCCC1)OC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C16H19NO2/c1-2-15(13-9-5-3-6-10-13)19-16(18)17-14-11-7-4-8-12-14/h1,4,7-8,11-13,15H,3,5-6,9-10H2,(H,17,18)
InChIKey
YWVRFLPOLDGBCK-UHFFFAOYSA-N
Compound name
1-cyclohexylprop-2-ynyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.14157 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14885 165.5
[M+Na]+ 280.13079 175.5
[M+NH4]+ 275.17539 169.7
[M+K]+ 296.10473 165.7
[M-H]- 256.13429 161.0
[M+Na-2H]- 278.11624 168.4
[M]+ 257.14102 164.6
[M]- 257.14212 164.6
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.