CID 167721397

Diethyl [(1e)-3-(1-aminocyclobutyl)prop-1-en-1-yl]phosphonate hydrochloride

Structural Information

Molecular Formula
C11H22NO3P
SMILES
CCOP(=O)(/C=C/CC1(CCC1)N)OCC
InChI
InChI=1S/C11H22NO3P/c1-3-14-16(13,15-4-2)10-6-9-11(12)7-5-8-11/h6,10H,3-5,7-9,12H2,1-2H3/b10-6+
InChIKey
IJRAHVFOHUQBFS-UXBLZVDNSA-N
Compound name
1-[(E)-3-diethoxyphosphorylprop-2-enyl]cyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.13373 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.14101 162.4
[M+Na]+ 270.12295 165.9
[M-H]- 246.12645 163.5
[M+NH4]+ 265.16755 175.1
[M+K]+ 286.09689 167.6
[M+H-H2O]+ 230.13099 150.2
[M+HCOO]- 292.13193 187.4
[M+CH3COO]- 306.14758 197.8
[M+Na-2H]- 268.10840 163.9
[M]+ 247.13318 173.4
[M]- 247.13428 173.4
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.