CID 205010

Brn 1468629

Structural Information

Molecular Formula
C15H21NO2
SMILES
CCCC1(CN(C1)C)C2=CC(=CC=C2)OC(=O)C
InChI
InChI=1S/C15H21NO2/c1-4-8-15(10-16(3)11-15)13-6-5-7-14(9-13)18-12(2)17/h5-7,9H,4,8,10-11H2,1-3H3
InChIKey
RNHRBVLFTLTWHO-UHFFFAOYSA-N
Compound name
[3-(1-methyl-3-propylazetidin-3-yl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 158.1
[M+Na]+ 270.14645 164.1
[M-H]- 246.14995 163.2
[M+NH4]+ 265.19105 169.8
[M+K]+ 286.12039 164.8
[M+H-H2O]+ 230.15449 146.3
[M+HCOO]- 292.15543 177.2
[M+CH3COO]- 306.17108 198.2
[M+Na-2H]- 268.13190 161.1
[M]+ 247.15668 168.8
[M]- 247.15778 168.8
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

patents stripe