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]+ 258.14885 164.9
[M+Na]+ 280.13079 170.9
[M-H]- 256.13429 167.8
[M+NH4]+ 275.17539 178.6
[M+K]+ 296.10473 165.2
[M+H-H2O]+ 240.13883 151.6
[M+HCOO]- 302.13977 177.9
[M+CH3COO]- 316.15542 203.6
[M+Na-2H]- 278.11624 164.1
[M]+ 257.14102 154.2
[M]- 257.14212 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.