CID 199519

Brn 2419371

Structural Information

Molecular Formula

C₁₇H₂₅NO₂

SMILES

CN(C)CCCOC(=O)C1(CCCC1)C2=CC=CC=C2

InChI

InChI=1S/C17H25NO2/c1-18(2)13-8-14-20-16(19)17(11-6-7-12-17)15-9-4-3-5-10-15/h3-5,9-10H,6-8,11-14H2,1-2H3

InChIKey

LQMVLFHNUXVCKV-UHFFFAOYSA-N

Compound name

3-(dimethylamino)propyl 1-phenylcyclopentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 275.18854 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	276.195816	168.7
[M+Na]+	298.177758	172.0
[M-H]-	274.181264	175.6
[M+NH4]+	293.222363	188.3
[M+K]+	314.151698	170.5
[M+H-H2O]+	258.185800	161.3
[M+HCOO]-	320.186741	191.1
[M+CH3COO]-	334.202391	202.8
[M+Na-2H]-	296.163206	170.1
[M]+	275.18799142	169.0
[M]-	275.18908858	169.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe