CID 131873701

Prampine methonitrate

Structural Information

Molecular Formula
C21H30NO4
SMILES
CCC(=O)OCC(C1=CC=CC=C1)C(=O)OC2C[C@H]3CC[C@@H](C2)[N+]3(C)C
InChI
InChI=1S/C21H30NO4/c1-4-20(23)25-14-19(15-8-6-5-7-9-15)21(24)26-18-12-16-10-11-17(13-18)22(16,2)3/h5-9,16-19H,4,10-14H2,1-3H3/q+1/t16-,17+,18?,19?
InChIKey
GIIDTFNXKIHNDG-LPOKXYRGSA-N
Compound name
[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenyl-3-propanoyloxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.21747 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.22475 190.3
[M+Na]+ 383.20669 193.2
[M-H]- 359.21019 193.7
[M+NH4]+ 378.25129 206.3
[M+K]+ 399.18063 184.8
[M+H-H2O]+ 343.21473 185.5
[M+HCOO]- 405.21567 203.0
[M+CH3COO]- 419.23132 207.9
[M+Na-2H]- 381.19214 190.9
[M]+ 360.21692 189.5
[M]- 360.21802 189.5
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.