CID 13222018

89054-83-1

Structural Information

Molecular Formula
C17H20N2O2
SMILES
CC(C)(COC(=O)C1=CN=CC=C1)NCC2=CC=CC=C2
InChI
InChI=1S/C17H20N2O2/c1-17(2,19-11-14-7-4-3-5-8-14)13-21-16(20)15-9-6-10-18-12-15/h3-10,12,19H,11,13H2,1-2H3
InChIKey
VVCAKFWZASEFTN-UHFFFAOYSA-N
Compound name
[2-(benzylamino)-2-methylpropyl] pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.15247 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.159746 167.9
[M+Na]+ 307.141688 172.6
[M-H]- 283.145194 172.5
[M+NH4]+ 302.186293 181.4
[M+K]+ 323.115628 169.2
[M+H-H2O]+ 267.149730 159.0
[M+HCOO]- 329.150671 189.0
[M+CH3COO]- 343.166321 202.3
[M+Na-2H]- 305.127136 174.4
[M]+ 284.15192142 168.7
[M]- 284.15301858 168.7
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.