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]+ 262.180156 164.6
[M+Na]+ 284.162098 166.9
[M-H]- 260.165604 169.9
[M+NH4]+ 279.206703 181.9
[M+K]+ 300.136038 164.5
[M+H-H2O]+ 244.170140 156.9
[M+HCOO]- 306.171081 185.8
[M+CH3COO]- 320.186731 197.7
[M+Na-2H]- 282.147546 165.0
[M]+ 261.17233142 162.3
[M]- 261.17342858 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.