CID 44145865

Hu81o2k1gb

Structural Information

Molecular Formula
C11H20NO4P
SMILES
CCCCOP(=O)(C)CCC(C#N)OC(=O)C
InChI
InChI=1S/C11H20NO4P/c1-4-5-7-15-17(3,14)8-6-11(9-12)16-10(2)13/h11H,4-8H2,1-3H3
InChIKey
FVJMPOQOCYFLLM-UHFFFAOYSA-N
Compound name
[3-[butoxy(methyl)phosphoryl]-1-cyanopropyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

42
Patents

261.113 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12028 154.7
[M+Na]+ 284.10222 161.8
[M-H]- 260.10572 154.1
[M+NH4]+ 279.14682 170.5
[M+K]+ 300.07616 162.1
[M+H-H2O]+ 244.11026 141.2
[M+HCOO]- 306.11120 176.6
[M+CH3COO]- 320.12685 208.4
[M+Na-2H]- 282.08767 155.3
[M]+ 261.11245 156.6
[M]- 261.11355 156.6
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

patents stripe