CID 3046659

62484-95-1

Structural Information

Molecular Formula
C12H23ClNO3P
SMILES
CCCCCOP(=O)(N1CCCC1)OCC(=C)Cl
InChI
InChI=1S/C12H23ClNO3P/c1-3-4-7-10-16-18(15,17-11-12(2)13)14-8-5-6-9-14/h2-11H2,1H3
InChIKey
RPSAHTBLMIJZIB-UHFFFAOYSA-N
Compound name
1-[2-chloroprop-2-enoxy(pentoxy)phosphoryl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1104 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11768 170.8
[M+Na]+ 318.09962 175.5
[M-H]- 294.10312 170.6
[M+NH4]+ 313.14422 187.7
[M+K]+ 334.07356 172.5
[M+H-H2O]+ 278.10766 162.4
[M+HCOO]- 340.10860 189.8
[M+CH3COO]- 354.12425 199.9
[M+Na-2H]- 316.08507 168.9
[M]+ 295.10985 175.2
[M]- 295.11095 175.2
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.