CID 390828

Nsc688886

Structural Information

Molecular Formula
C13H26NO6P
SMILES
CCOP(=O)(C1CC(CN1OC(=O)C(C)(C)C)O)OCC
InChI
InChI=1S/C13H26NO6P/c1-6-18-21(17,19-7-2)11-8-10(15)9-14(11)20-12(16)13(3,4)5/h10-11,15H,6-9H2,1-5H3
InChIKey
XIOIUFNCQUYPHK-UHFFFAOYSA-N
Compound name
(2-diethoxyphosphoryl-4-hydroxypyrrolidin-1-yl) 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.14978 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15706 176.0
[M+Na]+ 346.13900 180.7
[M-H]- 322.14250 175.2
[M+NH4]+ 341.18360 190.7
[M+K]+ 362.11294 181.3
[M+H-H2O]+ 306.14704 168.4
[M+HCOO]- 368.14798 196.8
[M+CH3COO]- 382.16363 204.5
[M+Na-2H]- 344.12445 174.9
[M]+ 323.14923 181.3
[M]- 323.15033 181.3
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.