CID 45250

63916-88-1

Structural Information

Molecular Formula
C16H22INO2
SMILES
CC1CCCCN1CCCOC(=O)C2=CC=CC=C2I
InChI
InChI=1S/C16H22INO2/c1-13-7-4-5-10-18(13)11-6-12-20-16(19)14-8-2-3-9-15(14)17/h2-3,8-9,13H,4-7,10-12H2,1H3
InChIKey
CYJRWJOMFVGVDK-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl 2-iodobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.06952 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.07680 177.7
[M+Na]+ 410.05874 181.6
[M+NH4]+ 405.10334 180.8
[M+K]+ 426.03268 177.6
[M-H]- 386.06224 174.4
[M+Na-2H]- 408.04419 170.6
[M]+ 387.06897 176.1
[M]- 387.07007 176.1
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.