CID 200320

Phenol, p-(1-methyl-3-propyl-3-pyrrolidinyl)-, acetate

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCCC1(CCN(C1)C)C2=CC=C(C=C2)OC(=O)C
InChI
InChI=1S/C16H23NO2/c1-4-9-16(10-11-17(3)12-16)14-5-7-15(8-6-14)19-13(2)18/h5-8H,4,9-12H2,1-3H3
InChIKey
YRMSUUQBVOKSMO-UHFFFAOYSA-N
Compound name
[4-(1-methyl-3-propylpyrrolidin-3-yl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.180156 162.5
[M+Na]+ 284.162098 168.9
[M-H]- 260.165604 167.6
[M+NH4]+ 279.206703 181.8
[M+K]+ 300.136038 166.3
[M+H-H2O]+ 244.170140 155.4
[M+HCOO]- 306.171081 182.5
[M+CH3COO]- 320.186731 196.4
[M+Na-2H]- 282.147546 163.6
[M]+ 261.17233142 163.3
[M]- 261.17342858 163.3
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.