CID 211398

23026-51-9

Structural Information

Molecular Formula
C16H24N2O4
SMILES
CNC(=O)OCCCN1CCC(C1)OC2=CC=CC=C2OC
InChI
InChI=1S/C16H24N2O4/c1-17-16(19)21-11-5-9-18-10-8-13(12-18)22-15-7-4-3-6-14(15)20-2/h3-4,6-7,13H,5,8-12H2,1-2H3,(H,17,19)
InChIKey
GVMPAULVZHUUTO-UHFFFAOYSA-N
Compound name
3-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]propyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1736 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.180876 172.6
[M+Na]+ 331.162818 176.8
[M-H]- 307.166324 177.2
[M+NH4]+ 326.207423 187.3
[M+K]+ 347.136758 175.1
[M+H-H2O]+ 291.170860 163.9
[M+HCOO]- 353.171801 194.0
[M+CH3COO]- 367.187451 205.4
[M+Na-2H]- 329.148266 173.2
[M]+ 308.17305142 175.1
[M]- 308.17414858 175.1
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.