CID 3056454

Ds-47

Structural Information

Molecular Formula
C15H33NO4P
SMILES
CC(C)OP(=O)(OC(C)C)OC(C)C[N+]1(CCCCC1)C
InChI
InChI=1S/C15H33NO4P/c1-13(2)18-21(17,19-14(3)4)20-15(5)12-16(6)10-8-7-9-11-16/h13-15H,7-12H2,1-6H3/q+1
InChIKey
AGOBKYPOLHUYKL-UHFFFAOYSA-N
Compound name
1-(1-methylpiperidin-1-ium-1-yl)propan-2-yl dipropan-2-yl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.21472 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.22200 178.4
[M+Na]+ 345.20394 180.2
[M-H]- 321.20744 178.1
[M+NH4]+ 340.24854 193.4
[M+K]+ 361.17788 175.5
[M+H-H2O]+ 305.21198 173.0
[M+HCOO]- 367.21292 196.6
[M+CH3COO]- 381.22857 202.5
[M+Na-2H]- 343.18939 179.0
[M]+ 322.21417 179.4
[M]- 322.21527 179.4
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.