CID 58447

101491-70-7

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CCN(CC)C(=O)OC1(CCN(C1C)C)C2=CC=CC=C2
InChI
InChI=1S/C17H26N2O2/c1-5-19(6-2)16(20)21-17(12-13-18(4)14(17)3)15-10-8-7-9-11-15/h7-11,14H,5-6,12-13H2,1-4H3
InChIKey
GFRBWLRBUSJYBO-UHFFFAOYSA-N
Compound name
(1,2-dimethyl-3-phenylpyrrolidin-3-yl) N,N-diethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.19943 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.206706 170.6
[M+Na]+ 313.188648 175.8
[M-H]- 289.192154 176.9
[M+NH4]+ 308.233253 189.0
[M+K]+ 329.162588 174.4
[M+H-H2O]+ 273.196690 162.9
[M+HCOO]- 335.197631 191.8
[M+CH3COO]- 349.213281 207.1
[M+Na-2H]- 311.174096 171.0
[M]+ 290.19888142 172.2
[M]- 290.19997858 172.2
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.