CID 19382

P-propoxybenzoic acid 2-(1-pyrrolidinyl)ethyl ester hydrochloride

Structural Information

Molecular Formula
C16H23NO3
SMILES
CCCOC1=CC=C(C=C1)C(=O)OCCN2CCCC2
InChI
InChI=1S/C16H23NO3/c1-2-12-19-15-7-5-14(6-8-15)16(18)20-13-11-17-9-3-4-10-17/h5-8H,2-4,9-13H2,1H3
InChIKey
UXWKRIVEXUOWEL-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethyl 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1678 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 167.1
[M+Na]+ 300.15702 171.4
[M-H]- 276.16052 171.3
[M+NH4]+ 295.20162 183.1
[M+K]+ 316.13096 169.1
[M+H-H2O]+ 260.16506 158.7
[M+HCOO]- 322.16600 187.2
[M+CH3COO]- 336.18165 197.7
[M+Na-2H]- 298.14247 167.6
[M]+ 277.16725 168.5
[M]- 277.16835 168.5
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.