CID 40984

Camiverine

Structural Information

Molecular Formula

C₁₉H₃₀N₂O₂

SMILES

CC(C)CCOC(=O)C(C1=CC=CC=C1)NCCN2CCCC2

InChI

InChI=1S/C19H30N2O2/c1-16(2)10-15-23-19(22)18(17-8-4-3-5-9-17)20-11-14-21-12-6-7-13-21/h3-5,8-9,16,18,20H,6-7,10-15H2,1-2H3

InChIKey

HKVGEMSALZULPM-UHFFFAOYSA-N

Compound name

3-methylbutyl 2-phenyl-2-(2-pyrrolidin-1-ylethylamino)acetate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 31
Patents: 318.23074 Da
Monoisotopic Mass: 3.6
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]+	319.238016	182.0
[M+Na]+	341.219958	182.6
[M-H]-	317.223464	185.4
[M+NH4]+	336.264563	195.5
[M+K]+	357.193898	180.0
[M+H-H2O]+	301.228000	172.7
[M+HCOO]-	363.228941	199.9
[M+CH3COO]-	377.244591	210.1
[M+Na-2H]-	339.205406	179.7
[M]+	318.23019142	180.7
[M]-	318.23128858	180.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe