CID 3046660

62484-96-2

Structural Information

Molecular Formula
C13H25ClNO3P
SMILES
CCCCCCOP(=O)(N1CCCC1)OCC(=C)Cl
InChI
InChI=1S/C13H25ClNO3P/c1-3-4-5-8-11-17-19(16,18-12-13(2)14)15-9-6-7-10-15/h2-12H2,1H3
InChIKey
FQYWTLOIIUNPAJ-UHFFFAOYSA-N
Compound name
1-[2-chloroprop-2-enoxy(hexoxy)phosphoryl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.12607 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.133346 175.6
[M+Na]+ 332.115288 179.8
[M-H]- 308.118794 175.1
[M+NH4]+ 327.159893 191.9
[M+K]+ 348.089228 176.6
[M+H-H2O]+ 292.123330 167.0
[M+HCOO]- 354.124271 194.2
[M+CH3COO]- 368.139921 202.9
[M+Na-2H]- 330.100736 173.1
[M]+ 309.12552142 180.2
[M]- 309.12661858 180.2
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.