CID 155943506

2613385-48-9

Structural Information

Molecular Formula
C9H18NO3P
SMILES
CP(=O)(C)CN1CCCC(C1)C(=O)O
InChI
InChI=1S/C9H18NO3P/c1-14(2,13)7-10-5-3-4-8(6-10)9(11)12/h8H,3-7H2,1-2H3,(H,11,12)
InChIKey
BLTNFKPEOPAKNC-UHFFFAOYSA-N
Compound name
1-(dimethylphosphorylmethyl)piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10243 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10971 151.2
[M+Na]+ 242.09165 156.0
[M-H]- 218.09515 150.1
[M+NH4]+ 237.13625 168.0
[M+K]+ 258.06559 155.0
[M+H-H2O]+ 202.09969 143.1
[M+HCOO]- 264.10063 172.2
[M+CH3COO]- 278.11628 186.1
[M+Na-2H]- 240.07710 151.2
[M]+ 219.10188 149.1
[M]- 219.10298 149.1
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.