CID 11157260

2,6-bis(di-tert-butylphosphinomethyl)pyridine

Structural Information

Molecular Formula
C23H43NP2
SMILES
CC(C)(C)P(CC1=NC(=CC=C1)CP(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C23H43NP2/c1-20(2,3)25(21(4,5)6)16-18-14-13-15-19(24-18)17-26(22(7,8)9)23(10,11)12/h13-15H,16-17H2,1-12H3
InChIKey
NJQAVBPPWNSBBC-UHFFFAOYSA-N
Compound name
ditert-butyl-[[6-(ditert-butylphosphanylmethyl)pyridin-2-yl]methyl]phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

221
Patents

395.28708 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.29436 215.0
[M+Na]+ 418.27630 217.8
[M-H]- 394.27980 214.2
[M+NH4]+ 413.32090 227.1
[M+K]+ 434.25024 215.5
[M+H-H2O]+ 378.28434 204.1
[M+HCOO]- 440.28528 235.3
[M+CH3COO]- 454.30093 231.9
[M+Na-2H]- 416.26175 210.6
[M]+ 395.28653 219.9
[M]- 395.28763 219.9
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