CID 120396

847-29-0

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]+ 292.227096 173.9
[M+Na]+ 314.209038 178.0
[M-H]- 290.212544 178.1
[M+NH4]+ 309.253643 189.8
[M+K]+ 330.182978 175.2
[M+H-H2O]+ 274.217080 165.5
[M+HCOO]- 336.218021 192.9
[M+CH3COO]- 350.233671 204.3
[M+Na-2H]- 312.194486 172.6
[M]+ 291.21927142 175.8
[M]- 291.22036858 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.