CID 131751496

Agrimer

Structural Information

Molecular Formula
C6H13NOP2
SMILES
C1CC(=O)N(C1)C(CP)P
InChI
InChI=1S/C6H13NOP2/c8-5-2-1-3-7(5)6(10)4-9/h6H,1-4,9-10H2
InChIKey
LQIAZOCLNBBZQK-UHFFFAOYSA-N
Compound name
1-[1,2-bis(phosphanyl)ethyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3509
References

26616
Patents

177.04724 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.05452 141.5
[M+Na]+ 200.03646 147.5
[M-H]- 176.03996 140.9
[M+NH4]+ 195.08106 162.9
[M+K]+ 216.01040 147.3
[M+H-H2O]+ 160.04450 131.0
[M+HCOO]- 222.04544 172.8
[M+CH3COO]- 236.06109 183.2
[M+Na-2H]- 198.02191 137.6
[M]+ 177.04669 141.8
[M]- 177.04779 141.8
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.