CID 49516

67195-95-3

Structural Information

Molecular Formula
C16H24N2O2
SMILES
C1CCC(CC1)NCCCOC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C16H24N2O2/c19-16(18-15-10-5-2-6-11-15)20-13-7-12-17-14-8-3-1-4-9-14/h2,5-6,10-11,14,17H,1,3-4,7-9,12-13H2,(H,18,19)
InChIKey
ZDVZIKZOYBDZAO-UHFFFAOYSA-N
Compound name
3-(cyclohexylamino)propyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.191056 165.4
[M+Na]+ 299.172998 166.2
[M-H]- 275.176504 170.0
[M+NH4]+ 294.217603 179.9
[M+K]+ 315.146938 163.4
[M+H-H2O]+ 259.181040 156.7
[M+HCOO]- 321.181981 186.4
[M+CH3COO]- 335.197631 201.8
[M+Na-2H]- 297.158446 169.0
[M]+ 276.18323142 160.7
[M]- 276.18432858 160.7
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.