CID 53234144

2-((di-tert-butylphosphinomethyl)-6-diethylaminomethyl)pyridine

Structural Information

Molecular Formula
C19H35N2P
SMILES
CCN(CC)CC1=NC(=CC=C1)CP(C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C19H35N2P/c1-9-21(10-2)14-16-12-11-13-17(20-16)15-22(18(3,4)5)19(6,7)8/h11-13H,9-10,14-15H2,1-8H3
InChIKey
MTBWGMDPQBSPGF-UHFFFAOYSA-N
Compound name
N-[[6-(ditert-butylphosphanylmethyl)pyridin-2-yl]methyl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

322.25378 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.26106 190.0
[M+Na]+ 345.24300 193.6
[M-H]- 321.24650 191.6
[M+NH4]+ 340.28760 204.5
[M+K]+ 361.21694 191.8
[M+H-H2O]+ 305.25104 180.1
[M+HCOO]- 367.25198 212.3
[M+CH3COO]- 381.26763 220.9
[M+Na-2H]- 343.22845 188.3
[M]+ 322.25323 194.6
[M]- 322.25433 194.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe