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 164.5
[M+Na]+ 280.13079 169.8
[M-H]- 256.13429 167.4
[M+NH4]+ 275.17539 178.2
[M+K]+ 296.10473 164.1
[M+H-H2O]+ 240.13883 150.9
[M+HCOO]- 302.13977 178.1
[M+CH3COO]- 316.15542 202.5
[M+Na-2H]- 278.11624 165.3
[M]+ 257.14102 154.3
[M]- 257.14212 154.3
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.