CID 49003

67032-23-9

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCC(COC(=O)C1=CC=CC=C1)NC2CCCC2
InChI
InChI=1S/C16H23NO2/c1-2-14(17-15-10-6-7-11-15)12-19-16(18)13-8-4-3-5-9-13/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3
InChIKey
NTBMZGYXAKYTOQ-UHFFFAOYSA-N
Compound name
2-(cyclopentylamino)butyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 164.6
[M+Na]+ 284.16210 166.9
[M-H]- 260.16560 169.9
[M+NH4]+ 279.20670 181.9
[M+K]+ 300.13604 164.5
[M+H-H2O]+ 244.17014 156.9
[M+HCOO]- 306.17108 185.8
[M+CH3COO]- 320.18673 197.7
[M+Na-2H]- 282.14755 165.0
[M]+ 261.17233 162.3
[M]- 261.17343 162.3
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.