CID 3046656

62484-91-7

Structural Information

Molecular Formula
C9H17ClNO3P
SMILES
CCOP(=O)(N1CCCC1)OCC(=C)Cl
InChI
InChI=1S/C9H17ClNO3P/c1-3-13-15(12,14-8-9(2)10)11-6-4-5-7-11/h2-8H2,1H3
InChIKey
WIWLIKVSZMQLBX-UHFFFAOYSA-N
Compound name
1-[2-chloroprop-2-enoxy(ethoxy)phosphoryl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.06346 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.07074 156.6
[M+Na]+ 276.05268 162.5
[M-H]- 252.05618 156.9
[M+NH4]+ 271.09728 175.1
[M+K]+ 292.02662 160.3
[M+H-H2O]+ 236.06072 148.8
[M+HCOO]- 298.06166 176.6
[M+CH3COO]- 312.07731 190.9
[M+Na-2H]- 274.03813 156.3
[M]+ 253.06291 159.8
[M]- 253.06401 159.8
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.