CID 3051639

Brn 2240328

Structural Information

Molecular Formula
C7H14NO2P
SMILES
CCC12CN(P(OC1)OC2)C
InChI
InChI=1S/C7H14NO2P/c1-3-7-4-8(2)11(9-5-7)10-6-7/h3-6H2,1-2H3
InChIKey
LPROUMBHXFIYBY-UHFFFAOYSA-N
Compound name
4-ethyl-7-methyl-2,6-dioxa-7-aza-1-phosphabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.07622 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08350 139.8
[M+Na]+ 198.06544 145.4
[M-H]- 174.06894 135.6
[M+NH4]+ 193.11004 163.1
[M+K]+ 214.03938 146.9
[M+H-H2O]+ 158.07348 132.0
[M+HCOO]- 220.07442 154.7
[M+CH3COO]- 234.09007 185.1
[M+Na-2H]- 196.05089 149.9
[M]+ 175.07567 144.0
[M]- 175.07677 144.0
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.