CID 130021

Cgp 36742

Structural Information

Molecular Formula
C7H18NO2P
SMILES
CCCCP(=O)(CCCN)O
InChI
InChI=1S/C7H18NO2P/c1-2-3-6-11(9,10)7-4-5-8/h2-8H2,1H3,(H,9,10)
InChIKey
ONNMDRQRSGKZCN-UHFFFAOYSA-N
Compound name
3-aminopropyl(butyl)phosphinic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

66
References

720
Patents

179.10751 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11479 146.0
[M+Na]+ 202.09673 151.7
[M-H]- 178.10023 142.9
[M+NH4]+ 197.14133 165.6
[M+K]+ 218.07067 150.3
[M+H-H2O]+ 162.10477 139.1
[M+HCOO]- 224.10571 172.5
[M+CH3COO]- 238.12136 182.1
[M+Na-2H]- 200.08218 147.9
[M]+ 179.10696 147.2
[M]- 179.10806 147.2
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