CID 71694

Pranosal

Structural Information

Molecular Formula
C16H23NO3
SMILES
CC1CCC(N1CCCOC(=O)C2=CC=CC=C2O)C
InChI
InChI=1S/C16H23NO3/c1-12-8-9-13(2)17(12)10-5-11-20-16(19)14-6-3-4-7-15(14)18/h3-4,6-7,12-13,18H,5,8-11H2,1-2H3
InChIKey
TVNKQHWRADJSQD-UHFFFAOYSA-N
Compound name
3-(2,5-dimethylpyrrolidin-1-yl)propyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

277.1678 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 166.7
[M+Na]+ 300.15702 172.5
[M-H]- 276.16052 170.4
[M+NH4]+ 295.20162 182.7
[M+K]+ 316.13096 169.3
[M+H-H2O]+ 260.16506 159.3
[M+HCOO]- 322.16600 185.3
[M+CH3COO]- 336.18165 197.6
[M+Na-2H]- 298.14247 165.5
[M]+ 277.16725 167.1
[M]- 277.16835 167.1
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.