CID 204920

Benzoato di 3-morfolinometil-2-bornanolo cloridrato [italian]

Structural Information

Molecular Formula
C22H31NO3
SMILES
CC1(C2CCC1(C(C2CN3CCOCC3)OC(=O)C4=CC=CC=C4)C)C
InChI
InChI=1S/C22H31NO3/c1-21(2)18-9-10-22(21,3)19(17(18)15-23-11-13-25-14-12-23)26-20(24)16-7-5-4-6-8-16/h4-8,17-19H,9-15H2,1-3H3
InChIKey
VOSHRJPRYGJNKW-UHFFFAOYSA-N
Compound name
[1,7,7-trimethyl-3-(morpholin-4-ylmethyl)-2-bicyclo[2.2.1]heptanyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.2304 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.237676 188.1
[M+Na]+ 380.219618 192.8
[M-H]- 356.223124 195.6
[M+NH4]+ 375.264223 206.9
[M+K]+ 396.193558 189.9
[M+H-H2O]+ 340.227660 181.0
[M+HCOO]- 402.228601 201.2
[M+CH3COO]- 416.244251 197.5
[M+Na-2H]- 378.205066 186.3
[M]+ 357.22985142 186.9
[M]- 357.23094858 186.9
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.