CID 218952

M.g. 6351

Structural Information

Molecular Formula
C16H19NO2
SMILES
C#CCC1(CCC(CC1)C2=CC=CC=C2)NC(=O)O
InChI
InChI=1S/C16H19NO2/c1-2-10-16(17-15(18)19)11-8-14(9-12-16)13-6-4-3-5-7-13/h1,3-7,14,17H,8-12H2,(H,18,19)
InChIKey
KCRXXFUQNUJCIZ-UHFFFAOYSA-N
Compound name
(4-phenyl-1-prop-2-ynylcyclohexyl)carbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.14157 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.148846 165.6
[M+Na]+ 280.130788 172.8
[M-H]- 256.134294 168.2
[M+NH4]+ 275.175393 180.9
[M+K]+ 296.104728 165.7
[M+H-H2O]+ 240.138830 153.2
[M+HCOO]- 302.139771 178.9
[M+CH3COO]- 316.155421 200.7
[M+Na-2H]- 278.116236 167.5
[M]+ 257.14102142 155.1
[M]- 257.14211858 155.1
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.