CID 59690757

778511-13-0

Structural Information

Molecular Formula
C20H26NP
SMILES
C[C@@H](C1CCCC1P(C2=CC=CC=C2)C3=CC=CC=C3)NC
InChI
InChI=1S/C20H26NP/c1-16(21-2)19-14-9-15-20(19)22(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,16,19-21H,9,14-15H2,1-2H3/t16-,19?,20?/m0/s1
InChIKey
NQJPABJJGYJQJY-DZIBYMRMSA-N
Compound name
(1S)-1-(2-diphenylphosphanylcyclopentyl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

311.1803 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.18758 179.0
[M+Na]+ 334.16952 180.7
[M-H]- 310.17302 186.1
[M+NH4]+ 329.21412 194.6
[M+K]+ 350.14346 176.2
[M+H-H2O]+ 294.17756 167.9
[M+HCOO]- 356.17850 204.4
[M+CH3COO]- 370.19415 211.0
[M+Na-2H]- 332.15497 174.3
[M]+ 311.17975 174.7
[M]- 311.18085 174.7
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

patents stripe