CID 3053852

Anc 149

Structural Information

Molecular Formula
C14H25NO3
SMILES
C1CCC(CC1)OCC(=O)OCCN2CCCC2
InChI
InChI=1S/C14H25NO3/c16-14(12-18-13-6-2-1-3-7-13)17-11-10-15-8-4-5-9-15/h13H,1-12H2
InChIKey
BJGNMRMMPJYZBK-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethyl 2-cyclohexyloxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.18344 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.190716 163.4
[M+Na]+ 278.172658 164.5
[M-H]- 254.176164 166.4
[M+NH4]+ 273.217263 179.7
[M+K]+ 294.146598 163.3
[M+H-H2O]+ 238.180700 155.1
[M+HCOO]- 300.181641 179.8
[M+CH3COO]- 314.197291 191.8
[M+Na-2H]- 276.158106 162.6
[M]+ 255.18289142 159.4
[M]- 255.18398858 159.4
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.