CID 130022

Cgp 46381

Structural Information

Molecular Formula
C10H22NO2P
SMILES
C1CCC(CC1)CP(=O)(CCCN)O
InChI
InChI=1S/C10H22NO2P/c11-7-4-8-14(12,13)9-10-5-2-1-3-6-10/h10H,1-9,11H2,(H,12,13)
InChIKey
XOESDNIUAWGCLU-UHFFFAOYSA-N
Compound name
3-aminopropyl(cyclohexylmethyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

29
References

219
Patents

219.13881 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.14609 155.2
[M+Na]+ 242.12803 157.8
[M-H]- 218.13153 154.2
[M+NH4]+ 237.17263 172.6
[M+K]+ 258.10197 155.7
[M+H-H2O]+ 202.13607 147.2
[M+HCOO]- 264.13701 178.0
[M+CH3COO]- 278.15266 187.7
[M+Na-2H]- 240.11348 155.4
[M]+ 219.13826 150.6
[M]- 219.13936 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe