CID 216855

Asta 5783

Structural Information

Molecular Formula
C12H26ClN2O5PS
SMILES
CCCCCS(=O)(=O)OCCNP1(=O)N(CCCO1)CCCl
InChI
InChI=1S/C12H26ClN2O5PS/c1-2-3-4-12-22(17,18)20-11-7-14-21(16)15(9-6-13)8-5-10-19-21/h2-12H2,1H3,(H,14,16)
InChIKey
YUDPVYSCZFNMJQ-UHFFFAOYSA-N
Compound name
2-[[3-(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-yl]amino]ethyl pentane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.09885 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.10613 177.4
[M+Na]+ 399.08807 181.6
[M-H]- 375.09157 177.9
[M+NH4]+ 394.13267 190.1
[M+K]+ 415.06201 179.5
[M+H-H2O]+ 359.09611 169.4
[M+HCOO]- 421.09705 191.5
[M+CH3COO]- 435.11270 212.4
[M+Na-2H]- 397.07352 178.9
[M]+ 376.09830 184.6
[M]- 376.09940 184.6
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.