CID 499460

Nsc678493

Structural Information

Molecular Formula
C14H22P
SMILES
CC[P+]1(C(CCC1C)C)C2=CC=CC=C2
InChI
InChI=1S/C14H22P/c1-4-15(12(2)10-11-13(15)3)14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3/q+1
InChIKey
OAJGKTZVDDAELQ-UHFFFAOYSA-N
Compound name
1-ethyl-2,5-dimethyl-1-phenylphospholan-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14592 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.15320 154.7
[M+Na]+ 244.13514 161.4
[M-H]- 220.13864 160.4
[M+NH4]+ 239.17974 177.4
[M+K]+ 260.10908 152.9
[M+H-H2O]+ 204.14318 149.4
[M+HCOO]- 266.14412 181.8
[M+CH3COO]- 280.15977 185.0
[M+Na-2H]- 242.12059 156.4
[M]+ 221.14537 152.8
[M]- 221.14647 152.8
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.