CID 499799

2-pyrrolidin-1-ylethyl n-(4-ethoxyphenyl)carbamate

Structural Information

Molecular Formula
C15H22N2O3
SMILES
CCOC1=CC=C(C=C1)NC(=O)OCCN2CCCC2
InChI
InChI=1S/C15H22N2O3/c1-2-19-14-7-5-13(6-8-14)16-15(18)20-12-11-17-9-3-4-10-17/h5-8H,2-4,9-12H2,1H3,(H,16,18)
InChIKey
QKTWKROPRBCVCL-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethyl N-(4-ethoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

278.16306 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.17034 165.7
[M+Na]+ 301.15228 169.5
[M-H]- 277.15578 170.0
[M+NH4]+ 296.19688 181.4
[M+K]+ 317.12622 167.4
[M+H-H2O]+ 261.16032 157.0
[M+HCOO]- 323.16126 187.2
[M+CH3COO]- 337.17691 199.1
[M+Na-2H]- 299.13773 167.3
[M]+ 278.16251 165.9
[M]- 278.16361 165.9
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.