CID 120396

Brn 1430954

Structural Information

Molecular Formula
C18H29NO2
SMILES
CC1=CC(=C(C=C1)C(C)C)OCCOCCN2CCCC2
InChI
InChI=1S/C18H29NO2/c1-15(2)17-7-6-16(3)14-18(17)21-13-12-20-11-10-19-8-4-5-9-19/h6-7,14-15H,4-5,8-13H2,1-3H3
InChIKey
ZDYMVEZZEKSGNZ-UHFFFAOYSA-N
Compound name
1-[2-[2-(5-methyl-2-propan-2-ylphenoxy)ethoxy]ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.21982 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.22710 173.9
[M+Na]+ 314.20904 178.0
[M-H]- 290.21254 178.1
[M+NH4]+ 309.25364 189.8
[M+K]+ 330.18298 175.2
[M+H-H2O]+ 274.21708 165.5
[M+HCOO]- 336.21802 192.9
[M+CH3COO]- 350.23367 204.3
[M+Na-2H]- 312.19449 172.6
[M]+ 291.21927 175.8
[M]- 291.22037 175.8
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.