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]+ 285.15975 167.9
[M+Na]+ 307.14169 172.6
[M-H]- 283.14519 172.5
[M+NH4]+ 302.18629 181.4
[M+K]+ 323.11563 169.2
[M+H-H2O]+ 267.14973 159.0
[M+HCOO]- 329.15067 189.0
[M+CH3COO]- 343.16632 202.3
[M+Na-2H]- 305.12714 174.4
[M]+ 284.15192 168.7
[M]- 284.15302 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.