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]+ 256.19072 163.4
[M+Na]+ 278.17266 164.5
[M-H]- 254.17616 166.4
[M+NH4]+ 273.21726 179.7
[M+K]+ 294.14660 163.3
[M+H-H2O]+ 238.18070 155.1
[M+HCOO]- 300.18164 179.8
[M+CH3COO]- 314.19729 191.8
[M+Na-2H]- 276.15811 162.6
[M]+ 255.18289 159.4
[M]- 255.18399 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.